QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P02788

No. Gene UniProt ID Protein Name Pathway PDB

1 LTF P02788 Lactotransferrin NA
1B0L; 1BKA; 1CB6; 1DSN; 1EH3; 1FCK; 1H43; 1H44; 1H45; 1HSE; 1L5T; 1LCF; 1LCT; 1LFG; 1LFH; 1LFI; 1LGB; 1N76; 1SQY; 1U62; 1VFD; 1VFE; 1XV4; 1XV7; 1Z6V; 1Z6W; 2BJJ; 2DP4; 2GMC; 2GMD; 2HD4; 2PMS

7 known interactions (drugs) of input target (LTF): Lactotransferrin

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB03485	Alpha-D-Fucose	C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
2	Approved; Experimental	SmallMoleculeDrug	DB03017	Lauric Acid	CCCCCCCCCCCC(O)=O
3	Approved	SmallMoleculeDrug	DB08439	Parecoxib	CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1
4	Experimental	SmallMoleculeDrug	DB03040	Nitrilotriacetic Acid	OC(=O)CN(CC(O)=O)CC(O)=O
5	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB04743	Nimesulide	CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O
6	Experimental	SmallMoleculeDrug	DB06987	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	[H][C@@](O)(CNC(C)C)COC1=CC=C(CC(N)=O)C=C1
7	Experimental	SmallMoleculeDrug	DB01811	3h-Indole-5,6-Diol	OC1=C(O)C=C2C=CNC2=C1

20 predicted interactions (drugs) of input target (LTF): Lactotransferrin

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	31.8%
2	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	25.8%
3	Approved; Vet approved	SmallMoleculeDrug	DB00586	Diclofenac	OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl	24.7%
4	Approved	SmallMoleculeDrug	DB00233	Aminosalicylic Acid	NC1=CC(O)=C(C=C1)C(O)=O	24.3%
5	Approved	SmallMoleculeDrug	DB00570	Vinblastine	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC	24.1%
6	Investigational	SmallMoleculeDrug	DB04725	Licofelone	CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1	22.5%
7	Experimental	SmallMoleculeDrug	DB02726	2-Phosphoglycolic Acid	OC(=O)COP(O)(O)=O	21.6%
8	Approved; Investigational	SmallMoleculeDrug	DB00482	Celecoxib	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F	20.4%
9	Investigational	SmallMoleculeDrug	DB12548	Sparsentan	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C	20.3%
10	Experimental	SmallMoleculeDrug	DB01955	1,4-Butanediol	OCCCCO	20.2%
11	Approved	SmallMoleculeDrug	DB00795	Sulfasalazine	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1	20.0%
12	Approved	SmallMoleculeDrug	DB11614	Rupatadine	CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1	19.9%
13	Investigational	SmallMoleculeDrug	DB05255	Ronacaleret	CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F	19.8%
14	Approved	SmallMoleculeDrug	DB01194	Brinzolamide	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O	19.8%
15	Experimental	SmallMoleculeDrug	DB03346	3,5,3',5'-Tetrachloro-Biphenyl-4,4'-Diol	OC1=C(Cl)C=C(C=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1	18.9%
16	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	18.6%
17	Experimental	SmallMoleculeDrug	DB04444	Tetrafluoroaluminate Ion	F[Al](F)(F)[F-]	18.1%
18	Experimental	SmallMoleculeDrug	DB08515	(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE	[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O	18.1%
19	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	17.9%
20	Approved	SmallMoleculeDrug	DB00316	Acetaminophen	CC(=O)NC1=CC=C(O)C=C1	17.5%