Fumaric Acid

Fumaric Acid

SCHEMBL9013607

COc1ccc(C(=O)N2CCN(CCOc3cc(C)nc(-c4ccc(OC)cc4)n3)CC2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 12/20 0.59
DRD3 P35462 14/20 0.59
KCNA5 P22460 3/20 0.57

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
Maleic Acid SCHEMBL9013599 1.00 DRD3 (0.59) DRD3DRD2KCNA5
Fumaric Acid SCHEMBL9013324 0.96 DRD3 (0.62) DRD3DRD2KCNA5
Maleic Acid SCHEMBL9013322 0.96 DRD3 (0.62) DRD3DRD2KCNA5
Maleic Acid SCHEMBL9013486 0.88 ESR1 (0.48) DRD2
Fumaric Acid SCHEMBL9013491 0.88 ESR1 (0.48) DRD2
Fumaric Acid SCHEMBL9013669 0.85 HTR1A (0.50) DRD2
Maleic Acid SCHEMBL9013664 0.85 HTR1A (0.50) DRD2
Hydrochloric Acid SCHEMBL9013338 0.80 ESR1 (0.64)
Fumaric Acid SCHEMBL9013612 0.79 KDM4E (0.50)
Maleic Acid SCHEMBL9013610 0.79 KDM4E (0.50)

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
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed