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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: Q9UNI1
No. Gene UniProt ID Protein Name Pathway PDB
1 CELA1 Q9UNI1 Chymotrypsin-like elastase family member 1 NA NA


17 known interactions (drugs) of input target (CELA1): Chymotrypsin-like elastase family member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08640 (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID Thumb
2 Experimental SmallMoleculeDrug DB02114 Para-Isopropylaniline Thumb
3 Experimental SmallMoleculeDrug DB06951 (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid Thumb
4 Experimental SmallMoleculeDrug DB07956 [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER Thumb
5 Experimental SmallMoleculeDrug DB01844 N,N-dimethylformamide Thumb
6 Experimental SmallMoleculeDrug DB03702 2-[4-[[(S)-1-[[(S)-2-[[(Rs)-3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl]Aminocarbonyl]Pyrrolidin-1-Yl-]Carbonyl]-2-Methylpropyl]Aminocarbonyl]Benzoylamino]Acetic Acid Thumb
7 Experimental SmallMoleculeDrug DB03202 2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide Thumb
8 Experimental SmallMoleculeDrug DB08007 (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID Thumb
9 Experimental SmallMoleculeDrug DB03890 N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide Thumb
10 Experimental;
Investigational		 SmallMoleculeDrug DB03925 Freselestat Thumb
11 Experimental SmallMoleculeDrug DB08614 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE Thumb
12 Experimental SmallMoleculeDrug DB02341 Mdl 101,146 Thumb
13 Experimental SmallMoleculeDrug DB07957 METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE Thumb
14 Experimental SmallMoleculeDrug DB07955 (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE Thumb
15 Experimental SmallMoleculeDrug DB07433 (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE Thumb
16 Experimental SmallMoleculeDrug DB03757 (Tert-Butyloxycarbonyl)-Alanyl-Alanyl-Amine Thumb
17 Experimental SmallMoleculeDrug DB08641 (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID Thumb


20 predicted interactions (drugs) of input target (CELA1): Chymotrypsin-like elastase family member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 43.0%
2 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00130 L-Glutamine Thumb 32.6%
3 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 27.5%
4 Experimental SmallMoleculeDrug DB02379 Beta-D-Glucose Thumb 25.8%
5 Approved BiotechDrug DB00099 Filgrastim Thumb 25.7%
6 Investigational BiotechDrug DB04959 HspE7 Thumb 25.0%
7 Approved SmallMoleculeDrug DB01094 Hesperetin Thumb 24.3%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00134 Methionine Thumb 24.2%
9 Approved BiotechDrug DB00019 Pegfilgrastim Thumb 24.0%
10 Approved SmallMoleculeDrug DB04552 Niflumic Acid Thumb 24.0%
11 Approved;
Investigational		 SmallMoleculeDrug DB00313 Valproic Acid Thumb 23.8%
12 Experimental SmallMoleculeDrug DB03983 (Molybdopterin-S,S)-Dioxo-Thio-Molybdenum(V) Thumb 23.7%
13 Approved SmallMoleculeDrug DB00514 Dextromethorphan Thumb 23.2%
14 Experimental SmallMoleculeDrug DB04016 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid Thumb 23.1%
15 Approved;
Nutraceutical		 SmallMoleculeDrug DB00159 Icosapent Thumb 23.1%
16 Experimental SmallMoleculeDrug DB07623 4,4'-DIPYRIDYL DISULFIDE Thumb 22.9%
17 Investigational SmallMoleculeDrug DB05161 Elafin Thumb 22.8%
18 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 22.4%
19 Investigational SmallMoleculeDrug DB05147 CYT997 Thumb 21.2%
20 Experimental SmallMoleculeDrug DB04132 S-Hexylglutathione Thumb 21.1%


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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.