Fumaric Acid

Fumaric Acid

SCHEMBL6696148

CSc1c(CN(C)C)cccc1Oc1cc(Cl)ccc1C#N.N#Cc1ccc(Cl)cc1F.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 10/20 0.45
SLC6A2 known ✓ P23975 9/20 0.45
SLC6A3 known ✓ Q01959 6/20 0.45
KCNH2 known ✓ Q12809 1/20 0.35
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
HTR2A known ✓ P28223 1/20 0.34
S1PR3 Q99500 3/20 0.42
NOS2 P35228 3/20 0.40
CYP2D6 P10635 2/20 0.38
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 SCHEMBL6696144 1.00 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL5381484 0.95 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL5381494 0.95 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL6657327 0.90 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL6657324 0.90 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL5339512 0.88 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL5339518 0.88 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3S1PR3NOS2
SCHEMBL5340734 0.86 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3NOS2KCNH2
Fumaric Acid SCHEMBL5345125 0.84 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3S1PR3NOS2
Fumaric Acid SCHEMBL5345121 0.84 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3S1PR3NOS2

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-1434756-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-07-07 EP disclosed
WO-2003029185-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-04-10 WO disclosed