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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: P06870
No. Gene UniProt ID Protein Name Pathway PDB
1 KLK1 P06870 Kallikrein-1 hsa04614; hsa04961 1SPJ


6 known interactions (drugs) of input target (KLK1): Kallikrein-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational BiotechDrug DB06245 Lanoteplase Thumb
2 Experimental SmallMoleculeDrug DB03127 Benzamidine Thumb
3 Experimental SmallMoleculeDrug DB06728 Aniline Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB12598 Nafamostat Thumb
5 Approved;
Investigational;
Withdrawn		 BiotechDrug DB06692 Aprotinin Thumb
6 Approved;
Investigational		 SmallMoleculeDrug DB01370 Aluminium Thumb


20 predicted interactions (drugs) of input target (KLK1): Kallikrein-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved BiotechDrug DB00031 Tenecteplase Thumb 33.2%
2 Approved;
Nutraceutical		 SmallMoleculeDrug DB00126 Vitamin C Thumb 26.9%
3 Approved;
Investigational;
Withdrawn		 BiotechDrug DB00013 Urokinase Thumb 26.2%
4 Experimental SmallMoleculeDrug DB04315 Guanosine-5'-Diphosphate Thumb 23.9%
5 Experimental SmallMoleculeDrug DB03976 Phosphorylisopropane Thumb 23.2%
6 Experimental SmallMoleculeDrug DB04410 3-Phenylpropylamine Thumb 21.9%
7 Experimental SmallMoleculeDrug DB02464 Benzylamine Thumb 21.3%
8 Investigational SmallMoleculeDrug DB12831 Gabexate Thumb 20.9%
9 Approved BiotechDrug DB13152 Coagulation Factor IX Human Thumb 20.5%
10 Experimental SmallMoleculeDrug DB03136 4-Iodobenzo[B]Thiophene-2-Carboxamidine Thumb 20.3%
11 Experimental SmallMoleculeDrug DB06850 (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide Thumb 20.2%
12 Experimental SmallMoleculeDrug DB01805 Monoisopropylphosphorylserine Thumb 20.0%
13 Approved BiotechDrug DB08888 Ocriplasmin Thumb 19.5%
14 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 19.3%
15 Approved;
Investigational;
Withdrawn		 BiotechDrug DB00055 Drotrecogin alfa Thumb 18.7%
16 Approved BiotechDrug DB00029 Anistreplase Thumb 18.4%
17 Approved BiotechDrug DB13149 Protein S human Thumb 18.4%
18 Experimental SmallMoleculeDrug DB02648 (3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium Thumb 18.4%
19 Experimental SmallMoleculeDrug DB01905 2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine Thumb 18.3%
20 Experimental SmallMoleculeDrug DB07844 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE Thumb 18.1%


  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.