Fumaric Acid

Fumaric Acid

SCHEMBL9691879

COC(=O)[C@@H]1CN(CCC2COc3ccccc3O2)CC[C@H]1O.O=C(O)C=CC(=O)O

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.41
MEN1 known ✓ O00255 1/20 0.41
KMT2A known ✓ Q03164 1/20 0.41
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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 SCHEMBL9691873 1.00 HTT (0.46) HTTHTR1AMEN1KMT2AALDH1A1
SCHEMBL9692391 0.94 HTT (0.48) HTTHTR1AALDH1A1
SCHEMBL9692907 0.94 HTT (0.48) HTTHTR1AALDH1A1
SCHEMBL9692374 0.94 HTT (0.48) HTTHTR1AALDH1A1
SCHEMBL9692918 0.94 HTT (0.48) HTTHTR1AALDH1A1
Hydrochloric Acid SCHEMBL9692554 0.93 HTT (0.47) HTTHTR1AALDH1A1HPGD
Hydrochloric Acid SCHEMBL9692561 0.93 HTT (0.47) HTTHTR1AALDH1A1HPGD
Fumaric Acid SCHEMBL9825239 0.86 HTT (0.42) HTTHTR1A
SCHEMBL9692643 0.85 HTT (0.46) HTTHTR1A
SCHEMBL9692630 0.85 HTT (0.46) HTTHTR1A

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
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed