QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P50225

No. Gene UniProt ID Protein Name Pathway PDB

1 SULT1A1 P50225 Sulfotransferase 1A1 hsa05204 1LS6; 1Z28; 2D06; 3QVU; 3QVV; 3U3J; 3U3K; 3U3M; 3U3O; 3U3R; 4GRA

2 known interactions (drugs) of input target (SULT1A1): Sulfotransferase 1A1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB04417	P-Nitrophenol	OC1=CC=C(C=C1)[N+]([O-])=O
2	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 (SULT1A1): Sulfotransferase 1A1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	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	28.1%
2	Approved	SmallMoleculeDrug	DB03147	Flavin adenine dinucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	24.0%
3	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]	23.6%
4	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	23.4%
5	Experimental	SmallMoleculeDrug	DB03309	N-Cyclohexyltaurine	OS(=O)(=O)CCNC1CCCCC1	20.3%
6	Experimental	SmallMoleculeDrug	DB03277	alpha-maltotriose	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O	20.0%
7	Approved; Investigational	SmallMoleculeDrug	DB03088	Pidolic Acid	OC(=O)[C@@H]1CCC(=O)N1	19.9%
8	Experimental	SmallMoleculeDrug	DB02730	4-Methylthio-Alpha-D-Mannose	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O	17.3%
9	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	16.2%
10	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	15.4%
11	Experimental	SmallMoleculeDrug	DB01870	1,4-dithio-alpha-D-glucopyranose	[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(S)[C@@]([H])(CO)O[C@]1([H])S	14.8%
12	Experimental	SmallMoleculeDrug	DB02902	3'-Phosphate-Adenosine-5'-Phosphate Sulfate	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O	14.0%
13	Experimental	SmallMoleculeDrug	DB07045	(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol	[H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O	13.9%
14	Approved; Investigational	SmallMoleculeDrug	DB00313	Valproic Acid	CCCC(CCC)C(O)=O	13.9%
15	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	13.8%
16	Experimental	SmallMoleculeDrug	DB02451	B-nonylglucoside	CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13.4%
17	Approved; Investigational	SmallMoleculeDrug	DB05389	Tetrachlorodecaoxide	O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O	13.4%
18	Experimental	SmallMoleculeDrug	DB03092	5-Hydroxymethyl-Chonduritol	[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	12.9%
19	Approved	BiotechDrug	DB00029	Anistreplase	NA	12.8%
20	Experimental	SmallMoleculeDrug	DB02218	N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	12.6%