Fumaric Acid

Fumaric Acid

SCHEMBL8091705

Cc1cc2c(cc1C)CC(CC1CNC=N1)C2.O=C(O)C=CC(=O)O

nearest known ligand 0.42

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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
ALDH1A1 P00352 1/20 0.33
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 SCHEMBL8091698 1.00 ALDH1A1 (0.33) ALDH1A1LMNABLM
Fumaric Acid SCHEMBL8092908 0.78 SLC6A4 (0.38)
Fumaric Acid SCHEMBL8097408 0.77 CYP19A1 (0.38) LMNABLM
SCHEMBL6955604 0.70 ADRA2A (0.49)
SCHEMBL6959118 0.69 SLC6A4 (0.38)
Fumaric Acid SCHEMBL8090881 0.66 MCHR1 (0.33)
Fumaric Acid SCHEMBL8092830 0.66 ADRA2A (0.36) LMNABLM
Fumaric Acid SCHEMBL8090876 0.66 MCHR1 (0.33)
Fumaric Acid SCHEMBL8092823 0.66 ADRA2A (0.36) LMNABLM
Fumaric Acid SCHEMBL8093365 0.66 ADRA2A (0.36)

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