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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: P11511
No. Gene UniProt ID Protein Name Pathway PDB
1 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8


12 known interactions (drugs) of input target (CYP19A1): Aromatase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00655 Estrone Thumb
2 Investigational SmallMoleculeDrug DB02342 2-Methoxyestradiol Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB00357 Aminoglutethimide Thumb
4 Investigational SmallMoleculeDrug DB05749 MPI-674 Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB01217 Anastrozole Thumb
6 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB00894 Testolactone Thumb
9 Approved;
Investigational		 SmallMoleculeDrug DB00990 Exemestane Thumb
10 Approved;
Investigational		 SmallMoleculeDrug DB01006 Letrozole Thumb
11 Experimental SmallMoleculeDrug DB04539 Glyphosate Thumb
12 Approved SmallMoleculeDrug DB00184 Nicotine Thumb


20 predicted interactions (drugs) of input target (CYP19A1): Aromatase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB01645 Genistein Thumb 37.3%
2 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 32.4%
3 Approved;
Investigational		 SmallMoleculeDrug DB09462 Glycerin Thumb 31.9%
4 Approved SmallMoleculeDrug DB09086 Eugenol Thumb 30.3%
5 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 29.5%
6 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb 29.4%
7 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 28.3%
8 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 28.0%
9 Approved;
Experimental		 SmallMoleculeDrug DB03017 Lauric Acid Thumb 26.2%
10 Experimental SmallMoleculeDrug DB03297 Benzylsulfinic Acid Thumb 25.1%
11 Experimental SmallMoleculeDrug DB07557 (5BETA)-PREGNANE-3,20-DIONE Thumb 24.2%
12 Approved;
Investigational		 SmallMoleculeDrug DB01126 Dutasteride Thumb 23.9%
13 Experimental SmallMoleculeDrug DB07720 Epibatidine Thumb 23.9%
14 Approved;
Investigational		 SmallMoleculeDrug DB01393 Bezafibrate Thumb 23.7%
15 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00312 Pentobarbital Thumb 23.4%
16 Approved;
Investigational		 SmallMoleculeDrug DB09064 Ciprofibrate Thumb 22.8%
17 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb 22.8%
18 Investigational;
Withdrawn		 SmallMoleculeDrug DB00197 Troglitazone Thumb 22.4%
19 Approved;
Vet approved		 SmallMoleculeDrug DB01159 Halothane Thumb 22.4%
20 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb 22.3%


  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.