Maleic Acid

Maleic Acid

SCHEMBL161822

ClC[C@@H]1CNCCc2ccccc21.O=C(O)/C=C\C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 4/20 0.46
HTR2A known ✓ P28223 3/20 0.46
HTR2B known ✓ P41595 3/20 0.46
DRD2 known ✓ P14416 2/20 0.39
DRD1 known ✓ P21728 2/20 0.39
HRH1 known ✓ P35367 1/20 0.37
TAAR1 Q96RJ0 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
AVPR1A P37288 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 SCHEMBL159722 1.00 TAAR1 (0.46) TAAR1HTR2CHTR2AHTR2BNPSR1
Malonic Acid SCHEMBL160930 0.88 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BNPSR1
Succinic Acid SCHEMBL161276 0.88 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BNPSR1
Glycolic Acid SCHEMBL162065 0.88 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BNPSR1
SCHEMBL163850 0.87 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2BPRCP
SCHEMBL162669 0.87 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2BPRCP
Bromide SCHEMBL161200 0.86 HTR2C (0.56) TAAR1HTR2CHTR2AHTR2BPRCP
Iodide SCHEMBL162026 0.86 HTR2C (0.56) TAAR1HTR2CHTR2AHTR2BPRCP
Adipic Acid SCHEMBL161399 0.86 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BNPSR1
Adipic Acid SCHEMBL174687 0.86 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BNPSR1

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
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed