Fumaric Acid

Fumaric Acid

SCHEMBL8417026

Fc1ccc(-n2cc(CCCN3CCOCC3)c3cc(Cl)ccc32)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.58

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 1)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 3/20 0.53

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 SCHEMBL8417024 1.00 KCNH2 (0.53) KCNH2
Fumaric Acid SCHEMBL8416463 0.88 KCNH2 (0.49) KCNH2
Maleic Acid SCHEMBL8416470 0.84 TSHR (0.47) KCNH2
Fumaric Acid SCHEMBL8416471 0.84 TSHR (0.47) KCNH2
Fumaric Acid SCHEMBL8415271 0.81 KCNH2 (0.62) KCNH2
Fumaric Acid SCHEMBL8415266 0.81 KCNH2 (0.62) KCNH2
Fumaric Acid SCHEMBL8117379 0.79 KCNH2 (0.53) KCNH2
Maleic Acid SCHEMBL8418382 0.78 KCNH2 (0.64) KCNH2
Maleic Acid SCHEMBL8418202 0.78 KCNH2 (0.62) KCNH2
Fumaric Acid SCHEMBL8418386 0.78 KCNH2 (0.64) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939077-A2 3-Substituted 1-arylindole compounds as 5-HT2 antagonists H. LUNDBECK A/S (DK) 1999-09-01 EP disclosed
US-5789404-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTISEROTONIN AGENTS H. LUNDBECK A/S (DK) 1998-08-04 US disclosed