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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: P50135
No. Gene UniProt ID Protein Name Pathway PDB
1 HNMT P50135 Histamine N-methyltransferase hsa00340 1ICZ; 1JQD; 1JQE; 2AOT; 2AOU; 2AOV; 2AOW; 2AOX


5 known interactions (drugs) of input target (HNMT): Histamine N-methyltransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04655 Metoprine Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB00613 Amodiaquine Thumb
3 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb
4 Experimental SmallMoleculeDrug DB13875 Harmaline Thumb
5 Experimental SmallMoleculeDrug DB07106 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE Thumb


20 predicted interactions (drugs) of input target (HNMT): Histamine N-methyltransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 29.7%
2 Approved;
Investigational		 SmallMoleculeDrug DB09099 Somatostatin Thumb 24.3%
3 Approved SmallMoleculeDrug DB00949 Felbamate Thumb 22.5%
4 Investigational SmallMoleculeDrug DB08846 Ellagic Acid Thumb 21.4%
5 Approved SmallMoleculeDrug DB09409 Magnesium acetate tetrahydrate Thumb 21.2%
6 Approved;
Investigational		 SmallMoleculeDrug DB00738 Pentamidine Thumb 20.8%
7 Approved SmallMoleculeDrug DB00200 Hydroxocobalamin Thumb 20.3%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 20.3%
9 Approved SmallMoleculeDrug DB00536 Guanidine Thumb 19.8%
10 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB04272 Citric Acid Thumb 19.4%
11 Approved;
Investigational		 SmallMoleculeDrug DB09462 Glycerin Thumb 18.2%
12 Approved;
Investigational		 SmallMoleculeDrug DB13985 Lutetium Lu 177 dotatate Thumb 18.0%
13 Illicit;
Vet approved		 SmallMoleculeDrug DB01497 Etorphine Thumb 17.7%
14 Approved;
Investigational		 BiotechDrug DB13161 Nusinersen Thumb 17.5%
15 Approved SmallMoleculeDrug DB00915 Amantadine Thumb 17.4%
16 Approved SmallMoleculeDrug DB00289 Atomoxetine Thumb 17.1%
17 Approved SmallMoleculeDrug DB01211 Clarithromycin Thumb 16.9%
18 Experimental SmallMoleculeDrug DB02507 4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One Thumb 16.1%
19 Investigational SmallMoleculeDrug DB05004 AC162352 Thumb 16.1%
20 Investigational SmallMoleculeDrug DB05492 Epicept NP-1 Thumb 16.0%


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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.