QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: O14792

No. Gene UniProt ID Protein Name Pathway PDB

1 HS3ST1 O14792 Heparan sulfate glucosamine 3-O-sulfotransferase 1 hsa00534 1ZRH

1 known interactions (drugs) of input target (HS3ST1): Heparan sulfate glucosamine 3-O-sulfotransferase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB01812	Adenosine-3'-5'-Diphosphate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O

20 predicted interactions (drugs) of input target (HS3ST1): Heparan sulfate glucosamine 3-O-sulfotransferase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC	25.4%
2	Experimental	SmallMoleculeDrug	DB02098	Adenosine-2'-5'-Diphosphate	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O	19.3%
3	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB01708	Prasterone	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C	17.5%
4	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4	17.4%
5	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00755	Tretinoin	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O	15.2%
6	Approved; Experimental	SmallMoleculeDrug	DB03017	Lauric Acid	CCCCCCCCCCCC(O)=O	14.5%
7	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]	13.8%
8	Experimental	SmallMoleculeDrug	DB04417	P-Nitrophenol	OC1=CC=C(C=C1)[N+]([O-])=O	13.1%
9	Approved	SmallMoleculeDrug	DB13146	Fluciclovine (18F)	N[C@]1(C[C@H]([18F])C1)C(O)=O	13.1%
10	Approved; Experimental; Investigational	SmallMoleculeDrug	DB02789	Pregnenolone	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O	13.0%
11	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12	12.3%
12	Approved; Experimental	SmallMoleculeDrug	DB03796	Palmitic Acid	CCCCCCCCCCCCCCCC(O)=O	12.3%
13	Approved; Investigational	SmallMoleculeDrug	DB00297	Bupivacaine	CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C	12.3%
14	Approved; Investigational	SmallMoleculeDrug	DB12965	Silver	[Ag]	12.2%
15	Approved; Investigational	SmallMoleculeDrug	DB00481	Raloxifene	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2	12.2%
16	Experimental	SmallMoleculeDrug	DB04445	Mercuric iodide	I[Hg]I	11.8%
17	Approved; Vet approved	SmallMoleculeDrug	DB00939	Meclofenamic acid	CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1	11.6%
18	Experimental	SmallMoleculeDrug	DB03981	1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid	[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O	11.6%
19	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	11.3%
20	Experimental	SmallMoleculeDrug	DB08222	METHOXYUNDECYLPHOSPHINIC ACID	CCCCCCCCCCC[P@@](O)(=O)OC	11.1%