Fumaric Acid

Fumaric Acid

SCHEMBL8801680

COc1ccc(C2Sc3ccccc3NCC2=O)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 4/20 0.39
KMT2A known ✓ Q03164 4/20 0.39
SLC2A1 P11166 1/20 0.48
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GSK3B P49841 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
HSPD1 P10809 1/20 0.36
TNFRSF1A P19438 1/20 0.36

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
Oxalic Acid SCHEMBL7398720 0.91 SLC2A1 (0.50) SLC2A1MAPTALDH1A1GSK3BMEN1
SCHEMBL7354934 0.91 SLC2A1 (0.56) SLC2A1MAPTALDH1A1TP53GSK3B
SCHEMBL10742386 0.74 SLC2A1 (0.56) SLC2A1MAPTALDH1A1KDM4ETP53
SCHEMBL4539804 0.70 SLC2A1 (0.63) SLC2A1MAPTALDH1A1TP53MEN1
SCHEMBL7419513 0.68 SLC2A1 (0.43) SLC2A1MAPTALDH1A1KDM4EMEN1
SCHEMBL9848234 0.68 SLC2A1 (0.43) SLC2A1MAPTALDH1A1KDM4EMEN1
SCHEMBL9602657 0.65 SMN1; SMN2 (0.72) SLC2A1MAPTALDH1A1TP53GSK3B
SCHEMBL9280672 0.65 SLC2A1 (0.48) SLC2A1MAPTALDH1A1KDM4EMEN1
SCHEMBL10983954 0.65 MAPT (0.61) SLC2A1MAPTALDH1A1TP53KMT2A
SCHEMBL5020108 0.64 HSD17B10 (0.73) SLC2A1MAPTALDH1A1KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463877-B2 Controlled release pharmaceutical preparation TANABE SEIYAKU CO (JP) 1997-07-02 EP disclosed