Histidine

Histidine

SCHEMBL28519332

CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.CSCCC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(Cc1c[nH]cn1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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 SCHEMBL28801818 0.93
Histidine SCHEMBL5064964 0.90 MEN1 (0.36) MEN1KMT2A
Histidine SCHEMBL6554544 0.90 MEN1 (0.30) MEN1KMT2A
Histidine SCHEMBL28219638 0.88 BHMT (0.32)
Histidine SCHEMBL1543511 0.88 CYP3A4 (0.30)
Histidine SCHEMBL27660744 0.88 CYP3A4 (0.30)
Histidine SCHEMBL5583260 0.87 CYP3A4 (0.31)
Histidine SCHEMBL7756453 0.86 CALCR (0.32)
Histidine SCHEMBL7758642 0.85 CALCR (0.34)
Histidine SCHEMBL28528367 0.85

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
CN-108101960-B Polypeptide molecule with ACE inhibitory activity and anti-tumor effect and preparation method thereof 湖北工业大学 2020-12-29 CN claimed
CN-108101960-B Polypeptide molecule with ACE inhibitory activity and anti-tumor effect and preparation method thereof 湖北工业大学 2020-12-29 CN disclosed
CN-108101960-B Polypeptide molecule with ACE inhibitory activity and anti-tumor effect and preparation method thereof 湖北工业大学 2020-12-29 CN disclosed