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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: DB01136
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB01136 Carvedilol Thumb


17 known interactions (targets) of input drug (DB01136): Carvedilol
No. Gene UniProt ID Protein Name Pathway PDB
1 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA
2 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 4AMJ;
3 GJA1 P17302 Gap junction alpha-1 protein hsa04540; hsa05412 2LL2
4 KCNJ4 P48050 Inward rectifier potassium channel 4 hsa04725; hsa04921 3GJ9
5 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA
6 SELE P16581 E-selectin hsa04514; hsa04668; hsa04933; hsa05143; hsa05144; hsa05418 1ESL; 1G1T; 1KJA; 4C16; 4CSY
7 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418
8 NPPB P16860 Natriuretic peptides B hsa04022 1YK1; 3N56
9 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX
10 HIF1A Q16665 Hypoxia-inducible factor 1-alpha hsa04066; hsa04137; hsa04140; hsa04659; hsa04919; hsa05167; hsa05200; hsa05205; hsa05211; hsa05230; hsa05231 1D7G; 1H2K; 1H2L; 1H2M; 1L3E; 1L8C; 1LM8; 1LQB; 2ILM; 3HQR; 3HQU; 4AJY; 4H6J
11 NDUFC2 O95298 NADH dehydrogenase [ubiquinone] 1 subunit C2 hsa00190; hsa01100; hsa04714; hsa04723; hsa04932; hsa05010; hsa05012; hsa05016 NA
12 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
13 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 4AMJ; 2LSQ
14 VCAM1 P19320 Vascular cell adhesion protein 1 hsa04064; hsa04514; hsa04668; hsa04670; hsa04933; hsa05143; hsa05144; hsa05166; hsa05418 1IJ9; 1VCA; 1VSC
15 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
16 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA
17 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF


20 predicted interactions (targets) of input drug (DB01136): Carvedilol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 65.7%
2 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 59.9%
3 HTR1B P28222 5-hydroxytryptamine receptor 1B hsa04024; hsa04080; hsa04726; hsa04742 2G1X; 4IAQ; 4IAR 57.6%
4 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 57.6%
5 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 54.5%
6 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 52.0%
7 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 50.8%
8 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 50.0%
9 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA 49.5%
10 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 49.4%
11 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 48.6%
12 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 47.1%
13 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 46.0%
14 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 43.4%
15 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 43.0%
16 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 41.9%
17 HRH4 Q9H3N8 Histamine H4 receptor hsa04080 NA 41.4%
18 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 40.7%
19 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 40.2%
20 HTR1F P30939 5-hydroxytryptamine receptor 1F hsa04024; hsa04080; hsa04726; hsa04742 NA 39.0%



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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.