Fumaric Acid

Fumaric Acid

SCHEMBL8092830

Cc1cccc2c1C=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 3/20 0.36
LMNA P02545 1/20 0.30
BLM P54132 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 SCHEMBL8092823 1.00 ADRA2A (0.36) ADRA2ALMNABLM
SCHEMBL6959269 0.90 ADRA2A (0.42) ADRA2A
Fumaric Acid SCHEMBL8092594 0.88 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8092419 0.88 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8092586 0.88 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8092413 0.88 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8096698 0.87 ADRA2A (0.34) ADRA2ALMNA
Fumaric Acid SCHEMBL8096703 0.87 ADRA2A (0.34) ADRA2ALMNA
Fumaric Acid SCHEMBL8091870 0.83 ADRA2A (0.46) ADRA2ALMNABLM
Fumaric Acid SCHEMBL8091878 0.83 ADRA2A (0.46) ADRA2ALMNABLM

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