Maleic Acid

Maleic Acid

SCHEMBL9269178

CC(C)n1c(N2CCC(c3c[nH]cn3)CC2)nc2cccc(OCc3ccccc3)c21.O=C(O)/C=C\C(=O)O

nearest known ligand 0.39

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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 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 1/20 0.34
DRD2 known ✓ P14416 1/20 0.34
HTR2A known ✓ P28223 1/20 0.33
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.36
AXL P30530 2/20 0.36
ACACB O00763 1/20 0.35
GLP1R P43220 2/20 0.34
HTR3A P46098 1/20 0.34
PDE6D O43924 3/20 0.34
PRMT5 O14744 1/20 0.34
MGLL Q99685 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL9269187 1.00 ALDH1A1 (0.38) ALDH1A1POLBAXLACACBGLP1R
SCHEMBL9412037 0.94 HTR2A (0.36) ALDH1A1AXLACACBGLP1RHTR3A
SCHEMBL9270247 0.77 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL7295294 0.74 CYP1A2 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7391668 0.66 TSHR (0.37) ALDH1A1HTR3APDE6DHRH1LMNA
SCHEMBL9270999 0.66 LCK (0.45) POLBLMNAPMP22SMN1; SMN2TDP1
SCHEMBL9012956 0.65 PARP1 (0.34) ALDH1A1HPGD
SCHEMBL8851450 0.63 TRPV1 (0.42)
SCHEMBL7391162 0.63 BRD4 (0.43)
Fumaric Acid SCHEMBL9135551 0.61 GFER (0.51) ALDH1A1POLBDRD2DRD3

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-5418241-A Antiserotonin agents SYNTHELABO (FR) 1995-05-23 US disclosed