Maleic Acid

Maleic Acid

SCHEMBL7769265

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccco1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.58

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
SLC6A4 known ✓ P31645 8/20 0.58
SLC6A2 known ✓ P23975 3/20 0.58
MTOR known ✓ P42345 2/20 0.58
HTR2C known ✓ P28335 2/20 0.58
SLC6A3 known ✓ Q01959 2/20 0.58
HRH3 known ✓ Q9Y5N1 2/20 0.58
ADRA2A known ✓ P08913 1/20 0.58
DRD2 known ✓ P14416 1/20 0.58
ADRA2B known ✓ P18089 1/20 0.58
DRD1 known ✓ P21728 1/20 0.58
HTR2A known ✓ P28223 1/20 0.58
ADRA1A known ✓ P35348 1/20 0.58
HRH1 known ✓ P35367 1/20 0.58
HTR2B known ✓ P41595 1/20 0.58
CACNA1C known ✓ Q13936 1/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 4/20 0.58
NPC1 O15118 2/20 0.58
CYP2D6 P10635 2/20 0.58

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 SCHEMBL7769270 1.00 SLC6A4 (0.58) SLC6A4MEN1KMT2ALMNASLC6A2
Oxalic Acid SCHEMBL3554 0.93 SLC6A4 (0.62) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL6005177 0.85 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL27334900 0.85 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL6005182 0.85 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL5790618 0.84 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL27524087 0.84 SLC6A4 (0.80) SLC6A4MEN1KMT2ALMNASLC6A2
Fluoxetine SCHEMBL8466282 0.78 SLC6A4 (0.80) SLC6A4MEN1KMT2ALMNASLC6A2
Oxalic Acid SCHEMBL3801 0.78 SLC6A4 (0.62) SLC6A4OPRM1HRH3SLC6A9OPRD1
Fluoxetine SCHEMBL6008121 0.77 SLC6A4 (0.88) SLC6A4MEN1KMT2ALMNASLC6A2

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-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed