Histamine

Histamine

SCHEMBL28074178

NCCc1c[nH]cn1.c1ccccc1

nearest known ligand 0.42

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Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Histamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 5/20 0.42
HRH4 Q9H3N8 5/20 0.39
HRH3 Q9Y5N1 4/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HRH2 P25021 3/20 0.35
HTR2A P28223 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.33
APEX1 P27695 1/20 0.32
HTR1B P28222 1/20 0.32

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
Histamine SCHEMBL4234179 0.96 HRH4 (0.39) HRH1HRH4HRH3TSHRCYP2C9
Histamine SCHEMBL1668636 0.96 HRH4 (0.42) HRH1HRH4HRH3TSHRCYP2C9
Histamine SCHEMBL27340939 0.96
Histamine SCHEMBL5447892 0.96
Histamine SCHEMBL289072 0.96 HRH4 (0.42) HRH1HRH4HRH3TSHRCYP2C9
Histamine SCHEMBL2279 0.96
Histamine SCHEMBL7444650 0.96 HRH4 (0.42) HRH1HRH4HRH3TSHRCYP2C9
Histamine SCHEMBL584026 0.93 TDP1 (0.44) HRH1HRH4HRH3TSHRCYP2C9
Histamine SCHEMBL931130 0.93
Histamine SCHEMBL6453806 0.93

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-104119277-B A kind of it is directed to the hapten of histamine, artificial antigen, antibody and preparation method and application 华南农业大学 2016-08-17 CN disclosed