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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: P21796
No. Gene UniProt ID Protein Name Pathway PDB
1 VDAC1 P21796 Voltage-dependent anion-selective channel protein 1 hsa04020; hsa04022; hsa04217; hsa04218; hsa04621; hsa04979; hsa05012; hsa05016; hsa05164; hsa05166 2JK4; 2K4T


4 known interactions (drugs) of input target (VDAC1): Voltage-dependent anion-selective channel protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01375 Aluminium monostearate Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB14011 Nabiximols Thumb
3 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB09061 Cannabidiol Thumb


20 predicted interactions (drugs) of input target (VDAC1): Voltage-dependent anion-selective channel protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB11755 Tetrahydrocannabivarin Thumb 47.7%
2 Approved SmallMoleculeDrug DB01744 Camphor Thumb 36.1%
3 Experimental SmallMoleculeDrug DB11345 (S)-camphor Thumb 34.7%
4 Approved SmallMoleculeDrug DB00825 Menthol Thumb 33.6%
5 Investigational SmallMoleculeDrug DB14050 Cannabidivarin Thumb 32.7%
6 Experimental SmallMoleculeDrug DB02955 Ricinoleic Acid Thumb 30.9%
7 Investigational SmallMoleculeDrug DB06098 PRLX 93936 Thumb 25.0%
8 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 24.1%
9 Approved;
Investigational		 SmallMoleculeDrug DB06155 Rimonabant Thumb 24.1%
10 Approved SmallMoleculeDrug DB00321 Amitriptyline Thumb 23.1%
11 Approved;
Investigational		 SmallMoleculeDrug DB09288 Propacetamol Thumb 22.4%
12 Approved;
Investigational		 SmallMoleculeDrug DB00486 Nabilone Thumb 22.1%
13 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 21.7%
14 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 21.6%
15 Approved;
Investigational		 SmallMoleculeDrug DB00568 Cinnarizine Thumb 21.5%
16 Approved;
Illicit		 SmallMoleculeDrug DB00470 Dronabinol Thumb 20.9%
17 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 20.7%
18 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb 20.5%
19 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00119 Pyruvic acid Thumb 20.5%
20 Approved;
Investigational		 SmallMoleculeDrug DB01118 Amiodarone Thumb 19.9%


  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.