Maleic Acid

Maleic Acid

SCHEMBL10844166

Clc1ccc(COCC2CNCCO2)cc1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.42

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

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

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 1/20 0.41
SLC6A2 known ✓ P23975 3/20 0.40
SLC6A4 known ✓ P31645 4/20 0.40
SLC6A3 known ✓ Q01959 2/20 0.40
HTR2A known ✓ P28223 3/20 0.39
ADRB2 known ✓ P07550 1/20 0.39
HTR1A known ✓ P08908 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.39
HTR2B known ✓ P41595 1/20 0.39
ADRA2C known ✓ P18825 1/20 0.39
LMNA P02545 1/20 0.38

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
Fumaric Acid SCHEMBL10844175 1.00 HRH1 (0.41) HRH1SLC6A2SLC6A4SLC6A3HTR2A
Fumaric Acid SCHEMBL10843401 0.90 LMNA (0.48) HRH1SLC6A2SLC6A4SLC6A3HTR2A
Maleic Acid SCHEMBL10843397 0.90 LMNA (0.48) HRH1SLC6A2SLC6A4SLC6A3HTR2A
Maleic Acid SCHEMBL10845393 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL10845402 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL10844800 0.87 HCAR2 (0.50) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Maleic Acid SCHEMBL10844789 0.87 HCAR2 (0.50) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Maleic Acid SCHEMBL10842627 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL10842639 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL10843899 0.83 SLC6A2 (0.43) HRH1SLC6A2SLC6A4SLC6A3HTR2A

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
US-4605654-A ANTIDEPRESSANTS; ANALGESICS P. F. MEDICAMENT (FR) 1986-08-12 US disclosed