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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: DB00915
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00915 Amantadine Thumb


5 known interactions (targets) of input drug (DB00915): Amantadine
No. Gene UniProt ID Protein Name Pathway PDB
1 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER
2 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY
3 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA
4 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN
5 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4


20 predicted interactions (targets) of input drug (DB00915): Amantadine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 64.6%
2 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 63.6%
3 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 60.6%
4 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 58.0%
5 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 56.3%
6 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 55.6%
7 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 55.2%
8 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 54.2%
9 CHRNB4 P30926 Neuronal acetylcholine receptor subunit beta-4 hsa04080; hsa04725 2ASG 54.1%
10 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 53.6%
11 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 51.9%
12 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 50.9%
13 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 50.2%
14 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 49.8%
15 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 49.2%
16 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 48.6%
17 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 47.5%
18 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 47.4%
19 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 46.9%
20 GRIK2 Q13002 Glutamate receptor ionotropic, kainate 2 hsa04080; hsa04724 3QXM 46.9%


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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.