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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P11509
No. Gene UniProt ID Protein Name Pathway PDB
1 CYP2A6 P11509 Cytochrome P450 2A6 hsa00232; hsa00830; hsa00980; hsa00982; hsa00983; hsa01100; hsa05204 1Z10; 1Z11; 2FDU; 2FDV; 2FDW; 2FDY; 3EBS; 3T3Q; 3T3R; 4EJJ; 4RUI

5 known interactions (drugs) of input target (CYP2A6): Cytochrome P450 2A6
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB04665 Coumarin Thumb
2 Experimental SmallMoleculeDrug DB07623 4,4'-DIPYRIDYL DISULFIDE Thumb
3 Experimental SmallMoleculeDrug DB07609 N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE Thumb
4 Experimental SmallMoleculeDrug DB07621 (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE Thumb
5 Experimental SmallMoleculeDrug DB07617 N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE Thumb

20 predicted interactions (drugs) of input target (CYP2A6): Cytochrome P450 2A6
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb 28.8%
2 Approved;
SmallMoleculeDrug DB03796 Palmitic Acid Thumb 22.9%
3 Investigational SmallMoleculeDrug DB08846 Ellagic Acid Thumb 21.7%
4 Approved;
SmallMoleculeDrug DB00119 Pyruvic acid Thumb 20.9%
5 Approved;
SmallMoleculeDrug DB00167 L-Isoleucine Thumb 20.0%
6 Approved;
SmallMoleculeDrug DB00143 Glutathione Thumb 19.9%
7 Approved;
SmallMoleculeDrug DB01942 Formic Acid Thumb 19.0%
8 Approved;
SmallMoleculeDrug DB01196 Estramustine Thumb 18.6%
9 Approved;
SmallMoleculeDrug DB09061 Cannabidiol Thumb 18.6%
10 Approved SmallMoleculeDrug DB00468 Quinine Thumb 18.5%
11 Approved SmallMoleculeDrug DB11590 Thimerosal Thumb 18.3%
12 Approved;
SmallMoleculeDrug DB08862 Cholecystokinin Thumb 18.0%
13 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 17.8%
14 Approved BiotechDrug DB00047 Insulin Glargine Thumb 17.5%
15 Investigational SmallMoleculeDrug DB05428 motexafin gadolinium Thumb 17.5%
16 Investigational BiotechDrug DB06245 Lanoteplase Thumb 17.5%
17 Investigational SmallMoleculeDrug DB05387 AE-941 Thumb 17.1%
18 Approved;
BiotechDrug DB11639 Dibotermin alfa Thumb 16.7%
19 Experimental SmallMoleculeDrug DB04036 Coenzyme a Persulfide Thumb 16.6%
20 Approved SmallMoleculeDrug DB04854 Febuxostat Thumb 16.6%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.