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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: P15559
No. Gene UniProt ID Protein Name Pathway PDB
1 NQO1 P15559 NAD(P)H dehydrogenase [quinone] 1 hsa00130; hsa05200; hsa05225; hsa05418 1D4A; 1DXO; 1GG5; 1H66; 1H69; 1KBO; 1KBQ; 1QBG; 2F1O; 3JSX; 4CET; 4CF6

11 known interactions (drugs) of input target (NQO1): NAD(P)H dehydrogenase [quinone] 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved SmallMoleculeDrug DB00266 Dicoumarol Thumb
2 Experimental SmallMoleculeDrug DB01927 Duroquinone Thumb
3 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb
4 Approved;
SmallMoleculeDrug DB00170 Menadione Thumb
5 Experimental SmallMoleculeDrug DB03626 5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione Thumb
6 Experimental SmallMoleculeDrug DB07385 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE Thumb
7 Experimental SmallMoleculeDrug DB02633 Cibacron Blue Thumb
8 Experimental SmallMoleculeDrug DB02400 5-Methoxy-1,2-Dimethyl-3-(4-Nitrophenoxymethyl)Indole-4,7-Dione Thumb
9 Experimental SmallMoleculeDrug DB04392 Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] Thumb
10 Experimental SmallMoleculeDrug DB02395 3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol Thumb
11 Experimental;
SmallMoleculeDrug DB04090 RH-1 Thumb

20 predicted interactions (drugs) of input target (NQO1): NAD(P)H dehydrogenase [quinone] 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB01593 Zinc Thumb 40.0%
2 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb 37.1%
3 Approved;
SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 35.6%
4 Approved;
Vet approved
SmallMoleculeDrug DB00145 Glycine Thumb 34.7%
5 Approved SmallMoleculeDrug DB00201 Caffeine Thumb 30.4%
6 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 29.8%
7 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 27.9%
8 Approved;
SmallMoleculeDrug DB00168 Aspartame Thumb 27.5%
9 Approved;
SmallMoleculeDrug DB00799 Tazarotene Thumb 25.8%
10 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 25.8%
11 Approved;
SmallMoleculeDrug DB00755 Tretinoin Thumb 25.5%
12 Approved;
SmallMoleculeDrug DB00464 Sodium Tetradecyl Sulfate Thumb 25.2%
13 Approved SmallMoleculeDrug DB09332 Kappadione Thumb 24.6%
14 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 24.3%
15 Approved;
SmallMoleculeDrug DB09462 Glycerin Thumb 23.1%
16 Approved;
BiotechDrug DB00100 Coagulation Factor IX (Recombinant) Thumb 23.0%
17 Experimental SmallMoleculeDrug DB04674 2-HYDROXY-3,5-DIIODOBENZOIC ACID Thumb 22.7%
18 Approved BiotechDrug DB00098 Antithymocyte immunoglobulin (rabbit) Thumb 22.1%
19 Approved;
SmallMoleculeDrug DB04942 Tamibarotene Thumb 22.0%
20 Approved SmallMoleculeDrug DB00210 Adapalene Thumb 21.7%


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.