Histidine

Histidine

SCHEMBL9224491

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

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SLC7A5 Q01650 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
TNF P01375 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPI P09923 1/20 0.36

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
SCHEMBL6026424 0.92 ALOX15 (0.42) ITGB3ITGA2BTNFKDM4EMAPT
SCHEMBL61370 0.92 ALOX15 (0.42) ITGB3ITGA2BTNFKDM4EMAPT
SCHEMBL61371 0.92 ALOX15 (0.42) ITGB3ITGA2BTNFKDM4EMAPT
Histidine SCHEMBL27550159 0.91 KDM4E (0.50) ITGB3ITGA2BSLC7A5HSD17B10CYP3A4
D-Alanine SCHEMBL7432397 0.91 ALDH1A1 (0.40) ITGB3ITGA2BTNFKDM4EMAPT
SCHEMBL7162435 0.91 ALOX15 (0.41) ITGB3ITGA2BTNFKDM4EMAPT
Water SCHEMBL8680771 0.91 ALOX15 (0.41) ITGB3ITGA2BTNFKDM4EMAPT
SCHEMBL7162439 0.91 ALOX15 (0.41) ITGB3ITGA2BTNFKDM4EMAPT
Water SCHEMBL6933673 0.91 ALOX15 (0.41) ITGB3ITGA2BTNFKDM4EMAPT
Valine SCHEMBL7694394 0.88 ITGB3 (0.37) ITGB3ITGA2BSLC7A5TNFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476840-A Hypotensive agents ROUSSEL UCLAF (FR) 1995-12-19 US disclosed