Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Toxoplasma gondii | cathepsin CPC1 | 0.0039 | 0.0544 | 0.1568 |
Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.0108 | 0.2141 | 1 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0039 | 0.0544 | 0.1568 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Plasmodium vivax | vivapain-2 | 0.0108 | 0.2141 | 1 |
Schistosoma mansoni | cathepsin F (C01 family) | 0.0108 | 0.2141 | 0.2141 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Echinococcus multilocularis | cathepsin L cysteine protease | 0.0108 | 0.2141 | 0.2141 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Brugia malayi | cathepsin F-like cysteine proteinase | 0.0039 | 0.0544 | 0.0544 |
Giardia lamblia | Cathepsin B precursor | 0.0165 | 0.3468 | 1 |
Schistosoma mansoni | cathepsin S (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.0108 | 0.2141 | 0.2141 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Echinococcus granulosus | cathepsin b | 0.0447 | 1 | 1 |
Echinococcus multilocularis | cathepsin b | 0.0447 | 1 | 1 |
Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Loa Loa (eye worm) | cathepsin B | 0.0165 | 0.3468 | 0.3468 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.2141 | 0.2141 |
Echinococcus granulosus | cathepsin L | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Loa Loa (eye worm) | hypothetical protein | 0.0447 | 1 | 1 |
Plasmodium falciparum | serine repeat antigen 3 | 0.0039 | 0.0544 | 0.254 |
Plasmodium falciparum | serine repeat antigen 4 | 0.0039 | 0.0544 | 0.254 |
Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0108 | 0.2141 | 0.2141 |
Echinococcus multilocularis | cathepsin b | 0.0447 | 1 | 1 |
Plasmodium vivax | dipeptidyl aminopeptidase 1, putative | 0.0039 | 0.0544 | 0.254 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.2141 | 0.2141 |
Plasmodium vivax | dipeptidyl aminopeptidase 3, putative | 0.0039 | 0.0544 | 0.254 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.2141 | 0.2141 |
Toxoplasma gondii | cathepsin B | 0.0165 | 0.3468 | 1 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Schistosoma mansoni | dipeptidyl-peptidase I (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0108 | 0.2141 | 0.2141 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Plasmodium falciparum | cysteine proteinase falcipain 1 | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Entamoeba histolytica | cysteine proteinase, putative | 0.0108 | 0.2141 | 1 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Plasmodium vivax | serine-repeat antigen (SERA), putative | 0.0039 | 0.0544 | 0.254 |
Loa Loa (eye worm) | cysteine protease | 0.0108 | 0.2141 | 0.2141 |
Onchocerca volvulus | Cathepsin F homolog | 0.0108 | 0.2141 | 1 |
Plasmodium vivax | vivapain-1 | 0.0039 | 0.0544 | 0.254 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Loa Loa (eye worm) | cysteine proteinase cathepsin Z | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Echinococcus granulosus | cathepsin l1 | 0.0108 | 0.2141 | 0.2141 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine peptidase, putative | 0.0108 | 0.2141 | 0.2141 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine peptidase C (CPC), putative | 0.0447 | 1 | 1 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Toxoplasma gondii | cathepsin CPL | 0.0108 | 0.2141 | 0.6173 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Echinococcus granulosus | cathepsin L cysteine protease | 0.0039 | 0.0544 | 0.0544 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma cruzi | cysteine peptidase, putative | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Echinococcus multilocularis | cysteine protease | 0.0108 | 0.2141 | 0.2141 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Schistosoma mansoni | subfamily C1A unassigned peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Echinococcus multilocularis | cathepsin L cysteine protease | 0.0108 | 0.2141 | 0.2141 |
Trypanosoma cruzi | cruzipain precursor, putative | 0.0108 | 0.2141 | 0.2141 |
Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.0108 | 0.2141 | 1 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Plasmodium falciparum | serine repeat antigen 6 | 0.0039 | 0.0544 | 0.254 |
Schistosoma mansoni | subfamily C1A unassigned peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Plasmodium vivax | serine-repeat antigen 4 (SERA) | 0.0039 | 0.0544 | 0.254 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Trypanosoma cruzi | cysteine peptidase, putative | 0.0108 | 0.2141 | 0.2141 |
Plasmodium vivax | serine-repeat antigen 3 (SERA) | 0.0039 | 0.0544 | 0.254 |
Loa Loa (eye worm) | ctsf protein | 0.0108 | 0.2141 | 0.2141 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Plasmodium falciparum | dipeptidyl aminopeptidase 2 | 0.0039 | 0.0544 | 0.254 |
Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.0108 | 0.2141 | 1 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0165 | 0.3468 | 0.3468 |
Schistosoma mansoni | cathepsin B (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.0108 | 0.2141 | 0.2141 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Trypanosoma cruzi | cysteine proteinase, putative | 0.0039 | 0.0544 | 0.0544 |
Plasmodium falciparum | serine repeat antigen 1 | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Schistosoma mansoni | cathepsin C | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Toxoplasma gondii | cathepsin CPC2 | 0.0039 | 0.0544 | 0.1568 |
Echinococcus granulosus | cathepsin L | 0.0039 | 0.0544 | 0.0544 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Plasmodium falciparum | serine repeat antigen 8 | 0.0039 | 0.0544 | 0.254 |
Onchocerca volvulus | Cathepsin L homolog | 0.0108 | 0.2141 | 1 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Plasmodium vivax | unspecified product | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Echinococcus granulosus | cathepsin l1 | 0.0108 | 0.2141 | 0.2141 |
Plasmodium falciparum | serine repeat antigen 2 | 0.0039 | 0.0544 | 0.254 |
Echinococcus multilocularis | cathepsin L | 0.0039 | 0.0544 | 0.0544 |
Plasmodium vivax | serine-repeat antigen (SERA) | 0.0039 | 0.0544 | 0.254 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Brugia malayi | cathepsin Z-like cysteine proteinase | 0.0039 | 0.0544 | 0.0544 |
Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Trypanosoma cruzi | cysteine peptidase C (CPC), putative | 0.0165 | 0.3468 | 0.3468 |
Entamoeba histolytica | cysteine protease, putative | 0.0108 | 0.2141 | 1 |
Leishmania major | cysteine peptidase A (CPA) | 0.0108 | 0.2141 | 0.6173 |
Leishmania major | cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like | 0.0165 | 0.3468 | 1 |
Plasmodium falciparum | dipeptidyl aminopeptidase 3 | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Toxoplasma gondii | preprocathepsin c precursor, putative | 0.0039 | 0.0544 | 0.1568 |
Plasmodium vivax | unspecified product | 0.0039 | 0.0544 | 0.254 |
Giardia lamblia | Cathepsin B precursor | 0.0165 | 0.3468 | 1 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0039 | 0.0544 | 0.1568 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Echinococcus granulosus | cysteine protease | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | cathepsin Z-like cysteine proteinase | 0.0039 | 0.0544 | 0.0544 |
Plasmodium vivax | serine-repeat antigen 4 (SERA), putative | 0.0039 | 0.0544 | 0.254 |
Loa Loa (eye worm) | fibroinase | 0.0108 | 0.2141 | 0.2141 |
Plasmodium vivax | serine-repeat antigen 2 (SERA) | 0.0039 | 0.0544 | 0.254 |
Trypanosoma cruzi | cysteine peptidase (N-terminal), putative | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma cruzi | major cysteine proteinase, putative | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine peptidase, putative | 0.0108 | 0.2141 | 0.2141 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Echinococcus granulosus | cathepsin l cysteine peptidase | 0.0108 | 0.2141 | 0.2141 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0544 | 0.0544 |
Plasmodium vivax | dipeptidyl aminopeptidase 2, putative | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0447 | 1 | 1 |
Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0108 | 0.2141 | 0.6173 |
Plasmodium vivax | serine-repeat antigen (SERA), putative | 0.0039 | 0.0544 | 0.254 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine peptidase, putative | 0.0108 | 0.2141 | 0.2141 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0015 | 0 | 0.5 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0447 | 1 | 1 |
Brugia malayi | fibroinase precursor | 0.0039 | 0.0544 | 0.0544 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.0108 | 0.2141 | 0.2141 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Trichomonas vaginalis | Clan CA, family C1, cathepsin B-like cysteine peptidase | 0.0165 | 0.3468 | 1 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Plasmodium vivax | vivapain-2 | 0.0108 | 0.2141 | 1 |
Brugia malayi | cathepsin L precursor | 0.0039 | 0.0544 | 0.0544 |
Echinococcus multilocularis | cysteine protease | 0.0108 | 0.2141 | 0.2141 |
Plasmodium vivax | serine-repeat antigen 5 (SERA) | 0.0039 | 0.0544 | 0.254 |
Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.0108 | 0.2141 | 0.2141 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | major cysteine proteinase, putative | 0.0039 | 0.0544 | 0.0544 |
Trypanosoma cruzi | cysteine proteinase, putative | 0.0039 | 0.0544 | 0.0544 |
Plasmodium vivax | serine-repeat antigen (SERA) | 0.0039 | 0.0544 | 0.254 |
Brugia malayi | cahepsin L-like non-peptiedase homolog | 0.0039 | 0.0544 | 0.0544 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Plasmodium falciparum | dipeptidyl aminopeptidase 1 | 0.0039 | 0.0544 | 0.254 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0447 | 1 | 1 |
Brugia malayi | Papain family cysteine protease containing protein | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Cathepsin L-like cysteine proteinase | 0.0108 | 0.2141 | 0.2141 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.2141 | 0.2141 |
Echinococcus granulosus | cathepsin b | 0.0447 | 1 | 1 |
Trypanosoma cruzi | cysteine protease, putative | 0.0039 | 0.0544 | 0.0544 |
Plasmodium falciparum | serine repeat antigen 9 | 0.0039 | 0.0544 | 0.254 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Trypanosoma brucei | cysteine peptidase C (CPC) | 0.0165 | 0.3468 | 1 |
Giardia lamblia | Cathepsin B precursor | 0.0165 | 0.3468 | 1 |
Plasmodium vivax | vivapain-3 | 0.0039 | 0.0544 | 0.254 |
Onchocerca volvulus | Cathepsin L homolog | 0.0108 | 0.2141 | 1 |
Plasmodium falciparum | serine repeat antigen 7 | 0.0039 | 0.0544 | 0.254 |
Schistosoma mansoni | subfamily C1A non-peptidase homologue (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Schistosoma mansoni | cathepsin F (C01 family) | 0.0108 | 0.2141 | 0.2141 |
Echinococcus granulosus | cathepsin L cysteine proteinase | 0.0108 | 0.2141 | 0.2141 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0108 | 0.2141 | 0.5461 |
Entamoeba histolytica | cysteine proteinase, putative | 0.0108 | 0.2141 | 1 |
Plasmodium falciparum | serine repeat antigen 5 | 0.0039 | 0.0544 | 0.254 |
Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0039 | 0.0544 | 0.0544 |
Onchocerca volvulus | 0.0108 | 0.2141 | 1 | |
Schistosoma mansoni | cathepsin F (C01 family) | 0.0108 | 0.2141 | 0.2141 |
Brugia malayi | cathepsin L-like cysteine proteinase | 0.0039 | 0.0544 | 0.0544 |
Entamoeba histolytica | cysteine proteinase, putative | 0.0108 | 0.2141 | 1 |
Brugia malayi | Cathepsin L-like precursor | 0.0108 | 0.2141 | 0.2141 |
Schistosoma mansoni | SmCB2 peptidase (C01 family) | 0.0447 | 1 | 1 |
Echinococcus multilocularis | cathepsin L | 0.0039 | 0.0544 | 0.0544 |
Leishmania major | cathepsin L-like protease | 0.0108 | 0.2141 | 0.6173 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.