Maleic Acid

Maleic Acid

SCHEMBL7967787

Cc1ccc2sc3c(c2c1)C(N1CCN(C)CC1)=Nc1ccc(F)cc1N3.O=C(O)/C=C\C(=O)O

nearest known ligand 0.51

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
HRH1 known ✓ P35367 5/20 0.40
HTR2A known ✓ P28223 4/20 0.40
ADRB2 known ✓ P07550 1/20 0.40
HTR1A known ✓ P08908 1/20 0.40
ADRA2A known ✓ P08913 1/20 0.40
DRD2 known ✓ P14416 1/20 0.40
ADRA2B known ✓ P18089 1/20 0.40
ADRA2C known ✓ P18825 1/20 0.40
DRD1 known ✓ P21728 1/20 0.40
ADRA1D known ✓ P25100 1/20 0.40
HTR2C known ✓ P28335 1/20 0.40
SLC6A4 known ✓ P31645 1/20 0.40
ADRA1A known ✓ P35348 1/20 0.40
ADRA1B known ✓ P35368 1/20 0.40
HTR2B known ✓ P41595 1/20 0.40
CHRM1 P11229 2/20 0.40
PAK1 Q13153 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL6994810 0.92 CHRM1 (0.46) HRH1CHRM1PAK1HTR2AHTR3E
Maleic Acid SCHEMBL7669315 0.90 CHRM1 (0.43) HRH1CHRM1PAK1HTR2AHTR3E
Maleic Acid SCHEMBL7666985 0.90 CHRM1 (0.42) HRH1CHRM1PAK1HTR2AHTR3E
SCHEMBL6993572 0.85 CHRM1 (0.46) HRH1CHRM1PAK1HTR2AHTR3E
SCHEMBL6998924 0.85 CHRM1 (0.38) HRH1CHRM1PAK1HTR2AHTR3E
SCHEMBL6998153 0.84 CHRM1 (0.45) HRH1CHRM1PAK1HTR2AHTR3E
SCHEMBL6996709 0.83 CHRM1 (0.46) HRH1CHRM1PAK1HTR2AHTR3E
Maleic Acid SCHEMBL7656194 0.83 CHRM1 (0.49) HRH1CHRM1PAK1HTR2AHTR3E
SCHEMBL6990220 0.81 CHRM1 (0.49) HRH1CHRM1PAK1HTR2AHTR3E
Maleic Acid SCHEMBL7665213 0.81 HTR2A (0.34) HRH1CHRM1HTR2AHTR3EMEN1

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-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 US disclosed