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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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00564
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00564 Carbamazepine Thumb


4 known interactions (targets) of input drug (DB00564): Carbamazepine
No. Gene UniProt ID Protein Name Pathway PDB
1 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN
2 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY
3 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
4 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2


20 predicted interactions (targets) of input drug (DB00564): Carbamazepine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 55.4%
2 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4 37.7%
3 CHRNA6 Q15825 Neuronal acetylcholine receptor subunit alpha-6 hsa04080; hsa04725; hsa05033 NA 35.5%
4 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 35.3%
5 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 34.9%
6 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 34.7%
7 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 31.8%
8 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 31.8%
9 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 31.4%
10 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 30.7%
11 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 29.0%
12 CHRNB4 P30926 Neuronal acetylcholine receptor subunit beta-4 hsa04080; hsa04725 2ASG 26.7%
13 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 25.9%
14 SCN10A Q9Y5Y9 Sodium channel protein type 10 subunit alpha NA NA 25.6%
15 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 25.1%
16 CALM1 P0DP23 Calmodulin NA 24.4%
17 CHRNA9 Q9UGM1 Neuronal acetylcholine receptor subunit alpha-9 hsa04080 4D01; 4UXU; 4UY2 24.3%
18 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 24.2%
19 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 24.2%
20 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 24.1%


  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.