QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P09429

No. Gene UniProt ID Protein Name Pathway PDB

1 HMGB1 P09429 High mobility group protein B1 hsa03410; hsa04140; hsa04217 2LY4; 2RTU; 2YRQ

1 known interactions (drugs) of input target (HMGB1): High mobility group protein B1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Investigational	SmallMoleculeDrug	DB05869	Ethyl pyruvate	CCOC(=O)C(C)=O

20 predicted interactions (drugs) of input target (HMGB1): High mobility group protein B1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB01296	Glucosamine	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O	22.0%
2	Investigational	SmallMoleculeDrug	DB05767	Andrographolide	[H]\C(C[C@]1([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@]([H])(O)CC[C@@]12C)=C1/C(=O)OC[C@@]1([H])O	20.5%
3	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	20.3%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	20.2%
5	Investigational	SmallMoleculeDrug	DB05412	Talmapimod	[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1	18.9%
6	Approved; Experimental	SmallMoleculeDrug	DB13751	Glycyrrhizic acid	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O	18.8%
7	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	17.6%
8	Approved; Nutraceutical	SmallMoleculeDrug	DB00125	L-Arginine	N[C@@H](CCCNC(N)=N)C(O)=O	17.5%
9	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	17.1%
10	Approved; Investigational	SmallMoleculeDrug	DB05676	Apremilast	[H][C@](CS(C)(=O)=O)(N1C(=O)C2=C(C1=O)C(=CC=C2)N=C(C)O)C1=CC(OCC)=C(OC)C=C1	14.6%
11	Investigational	SmallMoleculeDrug	DB05513	Atiprimod	CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1	13.8%
12	Approved; Vet approved	SmallMoleculeDrug	DB00668	Epinephrine	CNC[C@H](O)C1=CC(O)=C(O)C=C1	13.8%
13	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	13.7%
14	Experimental	SmallMoleculeDrug	DB08342	S-PALMITOYL-L-CYSTEINE	[H][C@](N)(CSC(=O)CCCCCCCCCCCCCCC)C(O)=O	13.5%
15	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	12.8%
16	Approved	BiotechDrug	DB00065	Infliximab	NA	12.7%
17	Approved	BiotechDrug	DB11572	Thrombin Alfa	NA	12.6%
18	Investigational	SmallMoleculeDrug	DB12140	Dilmapimod	CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F	12.6%
19	Approved	BiotechDrug	DB09310	Coagulation Factor XIII A-Subunit (Recombinant)	NA	12.5%
20	Investigational	BiotechDrug	DB05110	VIR201	NA	12.2%