QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P03956

No. Gene UniProt ID Protein Name Pathway PDB

1 MMP1 P03956 Interstitial collagenase hsa03320; hsa04657; hsa04926; hsa05200; hsa05219; hsa05323 1AYK; 1CGE; 1CGF; 1CGL; 1HFC; 1SU3; 2AYK; 2CLT; 2J0T; 2TCL; 3AYK; 3SHI; 4AUO; 4AYK; 966C

6 known interactions (drugs) of input target (MMP1): Interstitial collagenase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB00786	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
2	Experimental	SmallMoleculeDrug	DB08491	N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE	ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
3	Experimental	SmallMoleculeDrug	DB08482	[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER	[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC
4	Experimental	SmallMoleculeDrug	DB07556	N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE	[H][C@](C(C)C)(N(CC1=CC=CN=C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
5	Experimental	SmallMoleculeDrug	DB07926	N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC
6	Experimental	SmallMoleculeDrug	DB08403	METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC

20 predicted interactions (drugs) of input target (MMP1): Interstitial collagenase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00162	Vitamin A	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	30.8%
2	Approved; Withdrawn	SmallMoleculeDrug	DB09092	Xanthinol	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C	25.7%
3	Approved	SmallMoleculeDrug	DB01016	Glyburide	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	23.6%
4	Experimental	SmallMoleculeDrug	DB08271	N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID	COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO	22.6%
5	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	21.9%
6	Approved; Investigational	SmallMoleculeDrug	DB09266	Technetium Tc-99m tilmanocept	NA	21.8%
7	Approved	BiotechDrug	DB06404	Human C1-esterase inhibitor	NA	21.0%
8	Experimental	SmallMoleculeDrug	DB03880	Batimastat	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC	20.4%
9	Investigational	SmallMoleculeDrug	DB05241	XL765	NA	20.3%
10	Experimental	SmallMoleculeDrug	DB04275	N-Acetyl Serotonin	CC(=O)NCCC1=CNC2=C1C=C(O)C=C2	20.1%
11	Approved; Investigational	SmallMoleculeDrug	DB00583	L-Carnitine	C[N+](C)(C)C[C@H](O)CC([O-])=O	20.1%
12	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01110	Miconazole	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1	19.9%
13	Approved; Vet approved	SmallMoleculeDrug	DB00741	Hydrocortisone	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	19.5%
14	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	18.3%
15	Experimental	SmallMoleculeDrug	DB02326	1-Hydroxyamine-2-Isobutylmalonic Acid	CC(C)C[C@@H](C(O)=O)C(=O)NO	18.3%
16	Nutraceutical	SmallMoleculeDrug	DB00116	Tetrahydrofolic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	18.2%
17	Approved	SmallMoleculeDrug	DB00594	Amiloride	NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1	18.1%
18	Experimental	SmallMoleculeDrug	DB04405	2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid	[H][C@](CCN1C(=O)C2=CC=CC=C2C1=O)(CC(=O)C1=CC=C(C=C1)C1=CC=C(OCC)C=C1)C(O)=O	17.7%
19	Approved; Investigational	BiotechDrug	DB06773	Human calcitonin	NA	17.6%
20	Experimental	SmallMoleculeDrug	DB03886	Biopterin	C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1	17.5%