Histidine

Histidine

SCHEMBL9216787

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

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 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.47
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
THRB P10828 1/20 0.36
CPB2 Q96IY4 3/20 0.36
ARG1 P05089 1/20 0.36
CPB1 P15086 1/20 0.36
CYP3A4 P08684 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CYP1A2 P05177 2/20 0.33
MMP2 P08253 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIK1 P39086 1/20 0.33

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 SCHEMBL9214754 1.00 GSR (0.47) GSRALOX15BLMPMP22KMT2A
Histidine SCHEMBL25284049 0.96 GSR (0.43) GSRALOX15BLMPMP22KMT2A
Histidine SCHEMBL305856 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL4297918 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
D-Histidine SCHEMBL902054 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL16714200 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL18419548 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL305855 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL4294462 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2
Histidine SCHEMBL27440707 0.93 GSR (0.54) GSRITGB3ITGA2BTHRBCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006477-A1 INHIBITION OF BETA AMYLOID BINDING TO GLYCOSAMINOGLYCANS FOR TREATMENT OF ALZHEIMER'S DISEASE GLIATECH, INC. (US) 1995-03-09 WO claimed
WO-1995006477-A1 INHIBITION OF BETA AMYLOID BINDING TO GLYCOSAMINOGLYCANS FOR TREATMENT OF ALZHEIMER'S DISEASE GLIATECH, INC. (US) 1995-03-09 WO disclosed