Fumaric Acid

Fumaric Acid

SCHEMBL9420126

CCCCN.CCCCNCCCC.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.44

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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 2/20 0.39
KMT2A known ✓ Q03164 2/20 0.39
ALOX15 P16050 2/20 0.44
HCAR2 Q8TDS4 3/20 0.43
PAOX Q6QHF9 1/20 0.43
CASP2 P42575 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
F13A1 P00488 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA5A P35218 1/20 0.39
THPO P40225 1/20 0.39
CA7 P43166 1/20 0.39
RECQL P46063 1/20 0.39
CA9 Q16790 1/20 0.39

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 SCHEMBL6904086 0.90 HCAR2 (0.50) ALOX15HCAR2PAOXALDH1A1TSHR
Fumaric Acid SCHEMBL7796795 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Maleic Acid SCHEMBL9314759 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Fumaric Acid SCHEMBL6899442 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Maleic Acid SCHEMBL18628259 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Fumaric Acid SCHEMBL7796800 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Fumaric Acid SCHEMBL7796790 0.88 HCAR2 (0.52) HCAR2MEN1KMT2AALDH1A1TSHR
Spermine SCHEMBL3060219 0.84 CA12 (0.59) ALOX15PAOXCASP2MEN1KMT2A
Spermine SCHEMBL3060222 0.84 CA12 (0.59) ALOX15PAOXCASP2MEN1KMT2A
Spermidine SCHEMBL3059084 0.82 CA12 (0.61) ALOX15PAOXCASP2MEN1KMT2A

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
US-5275848-A Process for preparing a laminate of metal and a polyolefin resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-01-04 US disclosed