Histidine

Histidine

SCHEMBL8316688

N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2ccc(OC(=O)[C@@H](N)Cc3c[nH]cn3)cc2)cc1)C(=O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTPN1 P18031 2/20 0.44
SLC7A5 Q01650 4/20 0.43
PTGS1 P23219 3/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.42
TPH1 P17752 3/20 0.39
GRB2 P62993 1/20 0.39
ALOX15 P16050 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL1171906 1.00 ITGB3 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Histidine SCHEMBL8315963 1.00 ITGB3 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Lysine SCHEMBL18297989 0.91 ITGB3 (0.52) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Tryptophan SCHEMBL2689669 0.87 KMT2A (0.57) ALOX15HIF1AHSD17B10KDM4EADORA3
Histidine SCHEMBL1996749 0.87 KMT2A (0.57) ALOX15HIF1AHSD17B10KDM4EADORA3
SCHEMBL7782151 0.86 SLC1A3 (0.37) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7782152 0.86 SLC1A3 (0.37) SLC7A5PTGS1ALPIPKMXIAP
Arginine SCHEMBL8315939 0.86 SLC7A5 (0.40) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Arginine SCHEMBL8317787 0.86 SLC7A5 (0.40) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Tyrosine SCHEMBL606712 0.84 SLC7A5 (0.65) ITGB3ITGA2BSLC7A5PTGS1ALPI

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
EP-0744614-B1 Use of Isoelectric point markers for isoelectric focusing with fluorescence detection LAB MOLECULAR BIOPHOTONICS (JP) 1999-12-22 EP disclosed
US-5866683-A Isoelectric point markers for isoelectric focusing with fluorescence detection LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 1999-02-02 US disclosed
EP-0744614-A2 Isoelectric point markers for isoelectric focusing with fluorescence detection Laboratory of Molecular Biophotonics (JP) 1996-11-27 EP disclosed