Fumaric Acid

Fumaric Acid

SCHEMBL9044328

O=C(O)C=CC(=O)O.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.56

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 1/20 0.37
KMT2A known ✓ Q03164 1/20 0.37
TSHR P16473 6/20 0.56
TP53 P04637 2/20 0.56
EGLN1 Q9GZT9 1/20 0.56
EGLN3 Q9H6Z9 1/20 0.56
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCAR2 Q8TDS4 5/20 0.39
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
Maleic Acid SCHEMBL29527960 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL28384900 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL29390111 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Fumaric Acid SCHEMBL11542355 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL4539178 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Fumaric Acid SCHEMBL28362495 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL30291249 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL9044325 1.00 TSHR (0.56) TSHRTP53EGLN1EGLN3GABRR1
Fumaric Acid SCHEMBL235143 0.89 LMNA (0.50) TSHRTP53EGLN1EGLN3GABRR1
Maleic Acid SCHEMBL230695 0.89 LMNA (0.50) TSHRTP53EGLN1EGLN3GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497552-B1 Photopolymerisable compositions NAT STARCH CHEM INVEST (US) 1996-05-22 EP disclosed
US-5445918-A Using a photoiniator of a titanocene compound and N-phenyl glycine to polymerize and unsaturated compound; photosensitity; UV and visible radiation ZENECA LIMITED (GB) 1995-08-29 US disclosed
EP-0497552-A1 Photopolymerisable compositions National Starch and Chemical Investment Holding Corporation (US) 1992-08-05 EP disclosed