Fumaric Acid

Fumaric Acid

SCHEMBL4669519

N#Cc1cccc(-c2ccccc2F)c1COC1CCNC1.O=C(O)C=CC(=O)O

nearest known ligand 0.40

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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 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 10/20 0.40
SLC6A4 known ✓ P31645 7/20 0.40
HRH1 known ✓ P35367 3/20 0.38
SLC6A3 known ✓ Q01959 6/20 0.38
KCNH2 known ✓ Q12809 4/20 0.38
HTR1A known ✓ P08908 2/20 0.35
BCL9 O00512 2/20 0.34
CTNNB1 P35222 2/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
F10 P00742 1/20 0.33

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 SCHEMBL4635676 0.94 SLC6A2 (0.39) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4635666 0.94 SLC6A2 (0.39) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4635680 0.94 SLC6A2 (0.39) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4139373 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4635673 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4635663 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4635667 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4139366 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4139372 0.91 SLC6A2 (0.41) SLC6A2SLC6A4HRH1SLC6A3KCNH2
Fumaric Acid SCHEMBL4138360 0.82 HRH1 (0.47) SLC6A2SLC6A4HRH1SLC6A3KCNH2

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
EP-1931653-A2 THERAPEUTIC PYRROLIDINES Pfizer Products Inc. (US) 2008-06-18 EP disclosed
WO-2007031828-A2 THERAPEUTIC PYRROLIDINES PFIZER PRODUCTS INC. (US) 2007-03-22 WO disclosed