Maleic Acid

Maleic Acid

SCHEMBL7967347

O=C(O)/C=C\C(=O)O.OC(COc1ccccc1)CN1CCC(c2cnc3ccccc3c2)CC1

nearest known ligand 0.56

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 11)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 4/20 0.53
DRD4 P21917 5/20 0.53
DRD3 P35462 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM1A O60341 3/20 0.46

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 SCHEMBL7967350 0.81 RAB9A (0.42) KDM4EPRMT5CYP2D6
Maleic Acid SCHEMBL7967346 0.81 RAB9A (0.42) KDM4EPRMT5CYP2D6
Hydrochloric Acid SCHEMBL9750973 0.76 L3MBTL1 (0.74) DRD4DRD2DRD3L3MBTL1KDM4E
SCHEMBL7966018 0.75 HTR1A (0.68)
SCHEMBL7967348 0.75 CHRNB2 (0.38) DRD2KDM4EPRMT5
SCHEMBL7969553 0.73 L3MBTL1 (0.55) DRD4DRD2DRD3L3MBTL1KDM4E
SCHEMBL3892463 0.73 CHRNA7 (0.72) DRD4DRD2DRD3L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL29686987 0.72 L3MBTL1 (0.67) DRD4DRD2DRD3L3MBTL1KDM4E
SCHEMBL11881484 0.72 MAPK1 (0.74) CYP2D6KDM1A
SCHEMBL13515653 0.71 DRD4 (0.62) DRD4DRD2DRD3L3MBTL1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed