Fumaric Acid

Fumaric Acid

SCHEMBL9013969

CC(C)CCCNc1ccc(OC2CCNCC2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.47

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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 8)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 5/20 0.47
SLC6A2 known ✓ P23975 11/20 0.44
SLC6A4 known ✓ P31645 9/20 0.44
SLC6A3 known ✓ Q01959 6/20 0.42
KCNH2 known ✓ Q12809 1/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41

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 SCHEMBL9013959 1.00 HRH1 (0.47) HRH1SLC6A2SLC6A4SLC6A3KCNH2
Fumaric Acid SCHEMBL9014052 0.87 HRH1 (0.48) HRH1SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL9014048 0.87 HRH1 (0.48) HRH1SLC6A2SLC6A4KCNH2
Fumaric Acid SCHEMBL9013837 0.85 HRH1 (0.48) HRH1SLC6A2SLC6A4KCNH2CTSL
Fumaric Acid SCHEMBL9013846 0.85 HRH1 (0.48) HRH1SLC6A2SLC6A4KCNH2CTSL
SCHEMBL9013965 0.79 LMNA (0.43) CTSLCTSSCTSK
SCHEMBL9013842 0.76 KCNH2 (0.40) HRH1KCNH2CTSLCTSSCTSK
SCHEMBL8800057 0.75 HRH1 (0.47) HRH1KCNH2
Fumaric Acid SCHEMBL9013889 0.75 RAB9A (0.50) HRH1KCNH2
SCHEMBL9022785 0.74 HRH1 (0.46) HRH1KCNH2

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-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-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed