QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q13393

No. Gene UniProt ID Protein Name Pathway PDB

1 PLD1 Q13393 Phospholipase D1 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05200; hsa05212; hsa05231 NA

3 known interactions (drugs) of input target (PLD1): Phospholipase D1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Investigational	SmallMoleculeDrug	DB05301	LAX-101	NA
2	Approved; Nutraceutical	SmallMoleculeDrug	DB00122	Choline	C[N+](C)(C)CCO
3	Approved; Nutraceutical	SmallMoleculeDrug	DB14006	Choline salicylate	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O

20 predicted interactions (drugs) of input target (PLD1): Phospholipase D1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB00898	Ethanol	CCO	21.0%
2	Approved	SmallMoleculeDrug	DB00674	Galantamine	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3	19.6%
3	Approved; Nutraceutical	SmallMoleculeDrug	DB00172	L-Proline	OC(=O)[C@@H]1CCCN1	19.6%
4	Investigational	SmallMoleculeDrug	DB04892	Phenserine	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C	17.6%
5	Approved; Vet approved	SmallMoleculeDrug	DB00893	Iron Dextran	NA	16.3%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB00139	Succinic acid	OC(=O)CCC(O)=O	16.1%
7	Approved; Investigational	BiotechDrug	DB11767	Sarilumab	NA	15.9%
8	Investigational	SmallMoleculeDrug	DB05137	Lobeline	CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1	15.7%
9	Approved; Investigational	SmallMoleculeDrug	DB12267	Brigatinib	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1	15.4%
10	Approved	BiotechDrug	DB06366	Pertuzumab	NA	15.3%
11	Approved; Investigational	SmallMoleculeDrug	DB00989	Rivastigmine	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C	15.1%
12	Approved; Investigational	SmallMoleculeDrug	DB13985	Lutetium Lu 177 dotatate	[177Lu+3].[H][C@](C)(O)[C@]([H])(N=C(O)[C@]1([H])CSSC[C@]([H])(N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C([O-])CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC([O-])=O)CC2)C(O)=N[C@@]([H])(CC2=CC=C([O-])C=C2)C(O)=N[C@]([H])(CC2=CNC3=CC=CC=C23)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@]([H])(C(O)=N1)[C@@]([H])(C)O)C(O)=O	15.0%
13	Approved	SmallMoleculeDrug	DB00944	Demecarium	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	14.6%
14	Approved; Vet approved	SmallMoleculeDrug	DB00733	Pralidoxime	C[N+]1=C(\C=N\O)C=CC=C1	14.5%
15	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	14.4%
16	Experimental	SmallMoleculeDrug	DB03814	2-(N-Morpholino)-Ethanesulfonic Acid	[O-]S(=O)(=O)CC[NH+]1CCOCC1	14.2%
17	Investigational	SmallMoleculeDrug	DB11726	Encenicline	ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2	14.2%
18	Investigational; Withdrawn	BiotechDrug	DB00111	Daclizumab	NA	14.0%
19	Approved	SmallMoleculeDrug	DB01010	Edrophonium	CC[N+](C)(C)C1=CC(O)=CC=C1	14.0%
20	Approved	SmallMoleculeDrug	DB01090	Pentolinium	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1	13.8%