Histidine

SCHEMBL10428650

CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ADORA1 ADORA2A ADORA2B ADORA3 PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D

The experimentally established mechanism targets of Histidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	SLC7A5	Q01650	2/20	0.41

▸	SLC1A3	P43003	3/20	0.35

▸	SLC1A2	P43004	3/20	0.35

▸	ANPEP	P15144	1/20	0.34

▸	RNPEP	Q9H4A4	1/20	0.34

▸	DNPEP	Q9ULA0	1/20	0.34

▸	CYP3A4	P08684	1/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	GRIA2	P42262	3/20	0.32

▸	GRIA4	P48058	3/20	0.32

▸	GRIA1	P42261	2/20	0.32

▸	GRIA3	P42263	1/20	0.32

▸	GRIK1	P39086	4/20	0.32

▸	SLC1A1	P43005	2/20	0.31

▸	LARS1	Q9P2J5	1/20	0.30

▸	GRIK3	Q13003	2/20	0.30

▸	GRIK5	Q16478	2/20	0.30

▸	GRIK2	Q13002	2/20	0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
Histidine SCHEMBL10428649	1.00	SLC7A5 (0.41)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL26967573	0.94	SLC7A5 (0.46)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL295366	0.89	SLC7A5 (0.33)	SLC7A5
Histidine SCHEMBL716108	0.89	SLC7A5 (0.51)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL716109	0.89	SLC7A5 (0.51)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL1537416	0.89	SLC7A5 (0.51)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL9751058	0.89	ALOX15 (0.41)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL28870433	0.88	SLC7A5 (0.50)	SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Histidine SCHEMBL1673654	0.88	SLC7A5 (0.41)	SLC7A5SLC1A3CYP3A4CYP1A2GRIA2
Histidine SCHEMBL17113605	0.88	SLC7A5 (0.41)	SLC7A5SLC1A3CYP3A4CYP1A2GRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0368920-A1	LECTINES FIXING BETA-D-GALACTOSIDE.	IDEON CORP (US)	1990-05-23	—	—	EP	claimed
WO-1989000581-A1	LECTINES FIXING BETA-D-GALACTOSIDE	IDEON CORPORATION (US)	1989-01-26	—	—	WO	claimed
EP-0368920-A1	LECTINES FIXING BETA-D-GALACTOSIDE.	IDEON CORP (US)	1990-05-23	—	—	EP	disclosed
WO-1989000581-A1	LECTINES FIXING BETA-D-GALACTOSIDE	IDEON CORPORATION (US)	1989-01-26	—	—	WO	disclosed