Fumaric Acid

Fumaric Acid

SCHEMBL4635666

N#Cc1cccc(-c2cccc(F)c2F)c1CO[C@H]1CCNC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 9/20 0.39
SLC6A4 known ✓ P31645 7/20 0.39
KCNH2 known ✓ Q12809 4/20 0.39
HRH1 known ✓ P35367 2/20 0.36
SLC6A3 Q01959 6/20 0.39
F10 P00742 1/20 0.34
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
HTR1A P08908 1/20 0.32

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 SCHEMBL4635680 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4635676 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4669519 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4139366 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4635667 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4139373 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4635673 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4139372 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4635663 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2HRH1
Fumaric Acid SCHEMBL4140672 0.82 HRH1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HRH1

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