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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: Q16850
No. Gene UniProt ID Protein Name Pathway PDB
1 CYP51A1 Q16850 Lanosterol 14-alpha demethylase hsa00100; hsa01100 3JUS; 3JUV; 3LD6


6 known interactions (drugs) of input target (CYP51A1): Lanosterol 14-alpha demethylase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01045 Rifampicin Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB01167 Itraconazole Thumb
3 Approved SmallMoleculeDrug DB01007 Tioconazole Thumb
4 Experimental SmallMoleculeDrug DB07705 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE Thumb
5 Approved SmallMoleculeDrug DB00916 Metronidazole Thumb
6 Investigational SmallMoleculeDrug DB05667 Levoketoconazole Thumb


20 predicted interactions (drugs) of input target (CYP51A1): Lanosterol 14-alpha demethylase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 26.9%
2 Approved SmallMoleculeDrug DB01211 Clarithromycin Thumb 24.7%
3 Approved;
Investigational		 SmallMoleculeDrug DB01169 Arsenic trioxide Thumb 23.0%
4 Approved SmallMoleculeDrug DB08896 Regorafenib Thumb 21.7%
5 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02789 Pregnenolone Thumb 21.1%
6 Approved;
Withdrawn		 SmallMoleculeDrug DB05521 Telaprevir Thumb 20.6%
7 Approved BiotechDrug DB00082 Pegvisomant Thumb 20.0%
8 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb 19.7%
9 Approved;
Investigational		 SmallMoleculeDrug DB04894 Vapreotide Thumb 19.4%
10 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 19.3%
11 Approved SmallMoleculeDrug DB06589 Pazopanib Thumb 19.2%
12 Investigational SmallMoleculeDrug DB12742 Amuvatinib Thumb 19.0%
13 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 18.9%
14 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 18.6%
15 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 18.3%
16 Experimental SmallMoleculeDrug DB04315 Guanosine-5'-Diphosphate Thumb 17.7%
17 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb 17.5%
18 Approved;
Investigational		 SmallMoleculeDrug DB01083 Orlistat Thumb 17.4%
19 Approved;
Investigational		 SmallMoleculeDrug DB01011 Metyrapone Thumb 16.8%
20 Approved;
Investigational		 SmallMoleculeDrug DB01268 Sunitinib Thumb 16.5%


  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.