QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q9UKM7

No. Gene UniProt ID Protein Name Pathway PDB

1 MAN1B1 Q9UKM7 Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase hsa00510; hsa01100; hsa04141 1FMI; 1FO2; 1FO3; 1X9D

4 known interactions (drugs) of input target (MAN1B1): Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB03206	Duvoglustat	[H][C@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
2	Experimental	SmallMoleculeDrug	DB02422	Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside	[H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O
3	Experimental	SmallMoleculeDrug	DB01955	1,4-Butanediol	OCCCCO
4	Experimental	SmallMoleculeDrug	DB02742	Kifunensine	[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O

20 predicted interactions (drugs) of input target (MAN1B1): Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	46.2%
2	Approved; Experimental	SmallMoleculeDrug	DB03017	Lauric Acid	CCCCCCCCCCCC(O)=O	20.0%
3	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	19.9%
4	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	19.8%
5	Investigational	SmallMoleculeDrug	DB05737	Varespladib methyl	CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1	18.6%
6	Experimental	SmallMoleculeDrug	DB01854	5-Bromonicotinamide	NC(=O)C1=CN=CC(Br)=C1	18.3%
7	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	18.1%
8	Approved; Nutraceutical	SmallMoleculeDrug	DB00128	L-Aspartic Acid	N[C@@H](CC(O)=O)C(O)=O	18.0%
9	Approved; Illicit	SmallMoleculeDrug	DB01577	Methamphetamine	CN[C@@H](C)CC1=CC=CC=C1	17.6%
10	Experimental	SmallMoleculeDrug	DB01946	3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2	17.4%
11	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	16.6%
12	Experimental	SmallMoleculeDrug	DB08447	3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL	CN(C)CC1=CNC2=C1C=CC=C2CCCO	16.5%
13	Approved	SmallMoleculeDrug	DB03754	Tromethamine	NC(CO)(CO)CO	16.1%
14	Experimental	SmallMoleculeDrug	DB02322	Heparin Disaccharide I-S	[H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O	15.5%
15	Experimental	SmallMoleculeDrug	DB03784	Elaidoylamide	CCCCCCCC\C=C\CCCCCCCC(N)=O	15.2%
16	Approved; Vet approved	SmallMoleculeDrug	DB00586	Diclofenac	OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl	15.1%
17	Experimental	SmallMoleculeDrug	DB02726	2-Phosphoglycolic Acid	OC(=O)COP(O)(O)=O	15.0%
18	Approved; Investigational	SmallMoleculeDrug	DB04894	Vapreotide	[H][C@@](N)(CC1=CC=CC=C1)C(O)=N[C@@]1([H])CSSC[C@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCCN)N=C(O)[C@@]([H])(CC2=CNC3=CC=CC=C23)N=C(O)[C@]([H])(CC2=CC=C(O)C=C2)N=C1O)C(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N	14.9%
19	Experimental	SmallMoleculeDrug	DB04318	NÎ±-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide	[H]N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCC1=CC=CC=C1)CP(O)(=O)[C@@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1	14.9%
20	Experimental	SmallMoleculeDrug	DB08430	PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE	[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O	14.8%