Fumaric Acid

Fumaric Acid

SCHEMBL6661462

CNCc1cccc(Oc2nc(C)ccc2C#N)c1.Cc1ccc(C#N)c(Oc2cccc(C=O)c2)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.37
SLC6A4 known ✓ P31645 1/20 0.37
GPR119 Q8TDV5 1/20 0.44
P2RX3 P56373 3/20 0.40
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
NOS2 P35228 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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 SCHEMBL6661465 1.00 GPR119 (0.44) GPR119P2RX3FFAR1KDM4EALDH1A1
Fumaric Acid SCHEMBL5346059 0.94 GPR119 (0.48) GPR119P2RX3FFAR1KDM4EALDH1A1
Fumaric Acid SCHEMBL5346064 0.94 GPR119 (0.48) GPR119P2RX3FFAR1KDM4EALDH1A1
SCHEMBL5342961 0.85 GPR119 (0.53) GPR119KDM4EALDH1A1HTTTDP1
Fumaric Acid SCHEMBL6817583 0.84 MAOA (0.40) P2RX3FFAR1KDM4EALDH1A1ATM
Fumaric Acid SCHEMBL6817580 0.84 MAOA (0.40) P2RX3FFAR1KDM4EALDH1A1ATM
SCHEMBL5340211 0.83 GPR119 (0.54) GPR119KDM4EALDH1A1HTTTDP1
SCHEMBL6655200 0.77 GPR119 (0.54) GPR119KDM4EALDH1A1HTTTDP1
Fumaric Acid SCHEMBL5343190 0.77 AR (0.43) P2RX3FFAR1KDM4EALDH1A1
Fumaric Acid SCHEMBL5343195 0.77 AR (0.43) P2RX3FFAR1KDM4EALDH1A1

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