Histamine

Histamine

SCHEMBL8510036

CCCC(=O)O.NCCc1c[nH]cn1

nearest known ligand 0.39

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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 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 1/20 0.30
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP2C19 P33261 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MTOR P42345 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 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 SCHEMBL5321413 0.91 LMNA (0.33) HDAC3HDAC1HDAC2HDAC8CYP2C19
Histamine SCHEMBL1680140 0.91 LMNA (0.33) HDAC3HDAC1HDAC2HDAC8CYP2C19
Hexanoate SCHEMBL9698455 0.90 AKR1B1 (0.44) PDE4ATSHRTDP1L3MBTL1PPARA
Histamine SCHEMBL9702159 0.89 HRH4 (0.36) FFAR3CYP2C19HRH4HRH3CYP2C9
Glutarate SCHEMBL5770219 0.88 LMNA (0.39) HDAC3HDAC1HDAC2HDAC8TSHR
Adipic Acid SCHEMBL11632441 0.88 NFKB1 (0.42) HDAC3HDAC1HDAC2HDAC8TSHR
Histamine SCHEMBL5840054 0.85 HRH4 (0.38) CYP2C19HRH4HRH3CYP2C9TSHR
Histamine SCHEMBL1782847 0.85 HRH4 (0.36) CYP2C19HRH4HRH3CYP2C9TSHR
Histamine SCHEMBL10947437 0.84 HRH4 (0.41) CYP2C19HRH4HRH3CYP2C9TSHR
Histamine SCHEMBL4234179 0.83 HRH4 (0.39) CYP2C19HRH4HRH3CYP2C9TSHR

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
EP-0895537-A1 IGA1 PROTEASE FRAGMENT AS CARRIER PEPTIDE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) 1999-02-10 EP disclosed
WO-1998031791-A1 IGA1 PROTEASE FRAGMENT AS CARRIER PEPTIDE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) 1998-07-23 WO disclosed