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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: P54289
No. Gene UniProt ID Protein Name Pathway PDB
1 CACNA2D1 P54289 Voltage-dependent calcium channel subunit alpha-2/delta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA


15 known interactions (drugs) of input target (CACNA2D1): Voltage-dependent calcium channel subunit alpha-2/delta-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB06712 Nilvadipine Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB08872 Gabapentin Enacarbil Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb
5 Approved SmallMoleculeDrug DB04838 Cyclandelate Thumb
6 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb
8 Approved SmallMoleculeDrug DB00401 Nisoldipine Thumb
9 Approved;
Withdrawn		 SmallMoleculeDrug DB11148 Butamben Thumb
10 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00653 Magnesium sulfate Thumb
11 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb
12 Approved;
Investigational		 SmallMoleculeDrug DB01054 Nitrendipine Thumb
13 Approved;
Investigational		 SmallMoleculeDrug DB00270 Isradipine Thumb
14 Approved SmallMoleculeDrug DB00308 Ibutilide Thumb
15 Approved SmallMoleculeDrug DB01115 Nifedipine Thumb


20 predicted interactions (drugs) of input target (CACNA2D1): Voltage-dependent calcium channel subunit alpha-2/delta-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 65.8%
2 Approved;
Experimental		 SmallMoleculeDrug DB13746 Bioallethrin Thumb 60.5%
3 Approved SmallMoleculeDrug DB00825 Menthol Thumb 59.2%
4 Approved;
Investigational		 SmallMoleculeDrug DB09231 Benidipine Thumb 58.9%
5 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 58.8%
6 Approved SmallMoleculeDrug DB04855 Dronedarone Thumb 58.6%
7 Approved;
Investigational		 SmallMoleculeDrug DB00393 Nimodipine Thumb 58.4%
8 Investigational;
Withdrawn		 SmallMoleculeDrug DB01388 Mibefradil Thumb 57.5%
9 Approved;
Withdrawn		 SmallMoleculeDrug DB01244 Bepridil Thumb 56.5%
10 Approved;
Investigational		 SmallMoleculeDrug DB09232 Cilnidipine Thumb 56.4%
11 Approved;
Investigational		 SmallMoleculeDrug DB09229 Aranidipine Thumb 55.8%
12 Approved;
Investigational		 SmallMoleculeDrug DB09236 Lacidipine Thumb 54.2%
13 Approved;
Investigational		 SmallMoleculeDrug DB09238 Manidipine Thumb 52.1%
14 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 51.6%
15 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 48.7%
16 Approved;
Investigational		 SmallMoleculeDrug DB04920 Clevidipine Thumb 48.2%
17 Approved;
Investigational		 SmallMoleculeDrug DB01118 Amiodarone Thumb 47.0%
18 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb 46.1%
19 Approved;
Investigational		 SmallMoleculeDrug DB09237 Levamlodipine Thumb 45.8%
20 Approved;
Investigational		 SmallMoleculeDrug DB09235 Efonidipine Thumb 45.3%


  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.