Fumaric Acid

Fumaric Acid

SCHEMBL5574979

CC(C(=O)c1ccc2c(c1)NCCCC2)C1CCN(Cc2ccccc2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.62

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 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.62
NPY2R P49146 1/20 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 SCHEMBL5574975 1.00 ACHE (0.62) ACHENPY2R
Zanapezil SCHEMBL1232174 0.82 ACHE (0.91) ACHE
Zanapezil SCHEMBL1232176 0.82 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL9203761 0.81 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL9203739 0.81 ACHE (0.91) ACHE
SCHEMBL5638535 0.80 ACHE (0.71) ACHE
SCHEMBL6768828 0.80 ACHE (0.70) ACHE
Fumaric Acid SCHEMBL9200378 0.79 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL9200365 0.79 ACHE (0.91) ACHE
Fumaric Acid SCHEMBL23668767 0.78 ACHE (0.67) ACHENPY2R

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-5962535-A SYNERGISTIC MIXTURE OF IDEBENONE AND ACETYLCHOLINESTERASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US claimed
US-7266457-B1 High throughput functional genomics HESPEROS, LLC (US) 2007-09-04 US disclosed
US-5962535-A SYNERGISTIC MIXTURE OF IDEBENONE AND ACETYLCHOLINESTERASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed