Fumaric Acid

Fumaric Acid

SCHEMBL8097512

Fc1ccc2c(c1)C=C(CC1CNC=N1)CC2.O=C(O)C=CC(=O)O

nearest known ligand 0.50

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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 3)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 2/20 0.50
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 SCHEMBL8097507 1.00 ADRA2A (0.50) ADRA2AALDH1A1CYP2C19
SCHEMBL6954207 0.90 ADRA2A (0.59) ADRA2A
Fumaric Acid SCHEMBL8093365 0.88 ADRA2A (0.36) ADRA2A
Fumaric Acid SCHEMBL8093372 0.88 ADRA2A (0.36) ADRA2A
Fumaric Acid SCHEMBL8084750 0.85 CYP11B2 (0.37) ADRA2A
Fumaric Acid SCHEMBL8084745 0.85 CYP11B2 (0.37) ADRA2A
Fumaric Acid SCHEMBL8091878 0.85 ADRA2A (0.46) ADRA2A
Fumaric Acid SCHEMBL8092398 0.85 ADRA2A (0.46) ADRA2A
Fumaric Acid SCHEMBL8092403 0.85 ADRA2A (0.46) ADRA2A
Fumaric Acid SCHEMBL8091870 0.85 ADRA2A (0.46) ADRA2A

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed