Fumaric Acid

Fumaric Acid

SCHEMBL9013897

CC(C)=CCN(CC=C(C)C)c1ccc(OC2CCNCC2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.49

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 9)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 5/20 0.49
KCNH2 known ✓ Q12809 1/20 0.39
SLC6A2 known ✓ P23975 5/20 0.38
SLC6A4 known ✓ P31645 5/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.36
SLC6A3 known ✓ Q01959 2/20 0.35
MLNR known ✓ O43193 1/20 0.35
CACNA1B Q00975 1/20 0.46
GRK6 P43250 1/20 0.39

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 SCHEMBL9013891 1.00 HRH1 (0.49) HRH1CACNA1BKCNH2GRK6SLC6A2
Fumaric Acid SCHEMBL9013968 0.84 HRH1 (0.53) HRH1KCNH2GRK6SLC6A2SLC6A4
Fumaric Acid SCHEMBL9013975 0.84 HRH1 (0.53) HRH1KCNH2GRK6SLC6A2SLC6A4
SCHEMBL9013895 0.77 KMT2A (0.38) HRH3
Fumaric Acid SCHEMBL9013889 0.73 RAB9A (0.50) HRH1KCNH2HRH3
SCHEMBL9014043 0.73 GPR119 (0.54) HRH3
SCHEMBL9022301 0.71 HRH1 (0.59) HRH1KCNH2HRH3
Fumaric Acid SCHEMBL9013804 0.70 HRH1 (0.51) HRH1KCNH2HRH3
Fumaric Acid SCHEMBL9013794 0.70 HRH1 (0.51) HRH1KCNH2HRH3
Fumaric Acid SCHEMBL9014052 0.70 HRH1 (0.48) HRH1KCNH2GRK6SLC6A2SLC6A4

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-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed