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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: Q16678
No. Gene UniProt ID Protein Name Pathway PDB
1 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0


6 known interactions (drugs) of input target (CYP1B1): Cytochrome P450 1B1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB02342 2-Methoxyestradiol Thumb
2 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb
3 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
4 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb
5 Approved;
Experimental		 SmallMoleculeDrug DB07776 Flavone Thumb
6 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb


20 predicted interactions (drugs) of input target (CYP1B1): Cytochrome P450 1B1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 48.8%
2 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb 37.1%
3 Approved SmallMoleculeDrug DB00655 Estrone Thumb 31.7%
4 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb 25.5%
5 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 24.4%
6 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb 24.3%
7 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb 24.2%
8 Experimental SmallMoleculeDrug DB08399 PICEATANNOL Thumb 22.4%
9 Approved;
Vet approved		 SmallMoleculeDrug DB00396 Progesterone Thumb 22.1%
10 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb 21.6%
11 Experimental SmallMoleculeDrug DB02757 Pyrazole Thumb 21.5%
12 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb 21.4%
13 Approved SmallMoleculeDrug DB11619 Gestrinone Thumb 21.1%
14 Experimental SmallMoleculeDrug DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE Thumb 21.0%
15 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 20.9%
16 Experimental SmallMoleculeDrug DB07394 AUROVERTIN B Thumb 20.8%
17 Experimental SmallMoleculeDrug DB07678 (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL Thumb 20.7%
18 Experimental SmallMoleculeDrug DB07863 2-chloro-5-nitro-N-phenylbenzamide Thumb 20.6%
19 Approved;
Investigational		 SmallMoleculeDrug DB01393 Bezafibrate Thumb 20.6%
20 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 20.5%


  logl

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.

Contact:

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.