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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: P00846
No. Gene UniProt ID Protein Name Pathway PDB
1 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA


6 known interactions (drugs) of input target (MT-ATP6): ATP synthase subunit a
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb
2 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
3 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb
6 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb


20 predicted interactions (drugs) of input target (MT-ATP6): ATP synthase subunit a
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 42.6%
2 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb 37.0%
3 Investigational SmallMoleculeDrug DB01645 Genistein Thumb 34.7%
4 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 33.6%
5 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 33.0%
6 Investigational SmallMoleculeDrug DB05939 MK-0354 Thumb 31.9%
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 31.8%
8 Approved;
Investigational		 SmallMoleculeDrug DB00564 Carbamazepine Thumb 31.8%
9 Experimental SmallMoleculeDrug DB06973 4,4'-PROPANE-2,2-DIYLDIPHENOL Thumb 28.5%
10 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 28.1%
11 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb 26.5%
12 Experimental SmallMoleculeDrug DB06902 4-(1-methyl-1-phenylethyl)phenol Thumb 25.7%
13 Experimental SmallMoleculeDrug DB08595 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb 25.7%
14 Investigational SmallMoleculeDrug DB08398 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine Thumb 25.5%
15 Experimental SmallMoleculeDrug DB07485 4,4'-cyclohexane-1,1-diyldiphenol Thumb 25.1%
16 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb 24.6%
17 Experimental SmallMoleculeDrug DB06871 17-METHYL-17-ALPHA-DIHYDROEQUILENIN Thumb 24.2%
18 Experimental SmallMoleculeDrug DB02998 Methyltrienolone Thumb 24.2%
19 Experimental SmallMoleculeDrug DB07712 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Thumb 23.7%
20 Experimental SmallMoleculeDrug DB08048 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL Thumb 23.6%


  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.