Histidine

Histidine

SCHEMBL7521146

C[C@H](N)C(=O)OC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
GRIA1 P42261 6/20 0.35
GRIA2 P42262 6/20 0.35
GRIA3 P42263 6/20 0.35
GRIA4 P48058 6/20 0.35
SLC1A5 Q15758 1/20 0.35
IDO1 P14902 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK4 Q16099 2/20 0.32
GRIK5 Q16478 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL874924 0.89 SLC1A5 (0.38) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL4610837 0.88 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL3457996 0.88 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL3335322 0.88 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL27926628 0.86 SLC7A5 (0.36) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL27615468 0.85 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL7950365 0.85 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL3050307 0.85 SLC7A5 (0.49) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL3050310 0.85 SLC7A5 (0.49) SLC7A5CYP3A4CYP1A2GRIA1GRIA2
Histidine SCHEMBL28093403 0.85 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRIA1GRIA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020155450-A1 Genetic polymorphisms which are associated with autism spectrum Disorders NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-10-24 US disclosed
US-6228582-B1 SCREENING FOR BRAIN DISORDERS; ISOLATE MAMMALIAN TISSUE SAMPLE, TEST SAMPLE FOR PREFERENTIAL POLYMORPHISM IN NUCLEOTIDE SEQUENCES UNIVERSITY OF ROCHESTER 2001-05-08 US disclosed
WO-1998058082-A1 GENETIC POLYMORPHISMS WHICH ARE ASSOCIATED WITH AUTISM SPECTRUM DISORDERS UNIVERSITY OF ROCHESTER (US) 1998-12-23 WO disclosed