Histidine

Histidine

SCHEMBL1692193

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

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.47
SLC7A11 Q9UPY5 1/20 0.47
SLC7A5 Q01650 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.40
PKM P14618 2/20 0.37
ALPI P09923 1/20 0.37
XIAP P98170 1/20 0.37
GRIA2 P42262 4/20 0.35
GRIA1 P42261 3/20 0.35
GRIA3 P42263 3/20 0.35
GRIA4 P48058 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
KMT2A Q03164 2/20 0.35

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
Histidine SCHEMBL28511880 1.00 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL851432 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL22091426 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL18047802 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL4452747 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL27769589 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL1673287 0.98 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL28655326 0.97 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL28203991 0.97 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL1257407 0.93 PTGS1 (0.43) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763209-A Methods and materials relating to the functional domains of DNA binding proteins ARCH DEVELOPMENT CORPORATION (US) 1998-06-09 US claimed
WO-1989009777-A1 METHODS AND MATERIALS RELATING TO DNA BINDING PROTEINS ARCH DEVELOPMENT CORPORATION (US) 1989-10-19 WO claimed
CN-102959090-B For characterizing and differentiate the gene expression analysis of genetoxic compound MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
EP-2585612-B1 GENE EXPRESSION ANALYSES FOR CHARACTERIZING AND IDENTIFYING GENOTOXIC COMPOUNDS MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
EP-2585612-A1 GENE EXPRESSION ANALYSES FOR CHARACTERIZING AND IDENTIFYING GENOTOXIC COMPOUNDS Merck Patent GmbH (DE) 2013-05-01 EP disclosed
US-20130102493-A1 GENE EXPRESSION ANALYSES FOR CHARACTERIZING AND IDENTIFYING GENOTOXIC COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2011160767-A1 GENE EXPRESSION ANALYSES FOR CHARACTERIZING AND IDENTIFYING GENOTOXIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-12-29 WO disclosed
US-5866325-A HYBRIDS; DETECTION, QUANTITATIVE ANALYSIS ARCH DEVELOPMENT CORPORATION (US) 1999-02-02 US disclosed
US-5773583-A POLYPEPTIDE ARCH DEVELOPMENT CORPORATION (US) 1998-06-30 US disclosed
US-5763209-A Methods and materials relating to the functional domains of DNA binding proteins ARCH DEVELOPMENT CORPORATION (US) 1998-06-09 US disclosed
WO-1994023030-A2 METHODS AND MATERIALS RELATING TO THE FUNCTIONAL DOMAINS OF DNA BINDING PROTEINS ARCH DEVELOPMENT CORPORATION (US) 1994-10-13 WO disclosed
US-5206152-A Including zinc finger regions of the type involved in DNA binding ARCH DEVELOPMENT CORPORATION (US) 1993-04-27 US disclosed
WO-1989009777-A1 METHODS AND MATERIALS RELATING TO DNA BINDING PROTEINS ARCH DEVELOPMENT CORPORATION (US) 1989-10-19 WO disclosed