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Histidine

Histidine

SCHEMBL9211892

CC(C)C[C@H](N)C(=O)O.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 0.40

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 17)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.36
▸ CPB2 Q96IY4 3/20 0.34
▸ CPB1 P15086 2/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ ERAP2 Q6P179 2/20 0.33
▸ ERAP1 Q9NZ08 2/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.33
▸ ARG1 P05089 1/20 0.32
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31

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 SCHEMBL9220370 1.00 GSR (0.40) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL21768802 0.96 GSR (0.37) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL28378561 0.96 GSR (0.37) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL3791713 0.95 GSR (0.36) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL4118934 0.94 GSR (0.46) GSRTHRBSLC7A5CPB2CPB1
Histidine SCHEMBL4118930 0.94 GSR (0.46) GSRTHRBSLC7A5CPB2CPB1
Histidine SCHEMBL9216787 0.93 GSR (0.47) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL9214754 0.93 GSR (0.47) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL25284049 0.91 GSR (0.43) GSRTHRBALOX15BLMPMP22
Histidine SCHEMBL9751058 0.90 ALOX15 (0.41) GSRALOX15BLMPMP22KMT2A

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