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Histidine

Histidine

SCHEMBL28219638

CC(O)C(N)C(=O)O.CC(O)C(N)C(=O)O.CSCCC(N)C(=O)O.CSCCC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ BHMT2 Q9H2M3 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 SCHEMBL28519332 0.88 MEN1 (0.31) —
Histidine SCHEMBL27681989 0.87 CYP3A4 (0.40) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL342892 0.87 CYP3A4 (0.40) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL342891 0.87 CYP3A4 (0.40) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL285636 0.87 GSR (0.39) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL23362634 0.86 BHMT (0.39) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL28650960 0.86 CYP3A4 (0.40) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL2029768 0.85 SLC7A5 (0.34) BHMTCYP3A4SLC7A5BHMT2
Histidine SCHEMBL285814 0.85 GSR (0.38) CYP3A4SLC7A5
Histidine SCHEMBL9646532 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101960-A It is a kind of that there is ACE inhibitory activity and antitumor peptide molecule and preparation method thereof 湖北工业大学 2018-06-01 — — CN disclosed