Fumaric Acid

Fumaric Acid

SCHEMBL7480474

CN(C)C(=O)Oc1cccc2c1CN(Nc1ccncc1)CC2.O=C(O)C=CC(=O)O

nearest known ligand 0.41

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.39
DRD2 known ✓ P14416 1/20 0.36
ACHE P22303 9/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LIPE Q05469 2/20 0.34

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 SCHEMBL7480472 1.00 SLC6A2 (0.39) SLC6A2ACHEMAOAMAOBBCHE
SCHEMBL7480200 0.94 ACHE (0.41) ACHEMAOAMAOBBCHEDRD2
Fumaric Acid SCHEMBL7477761 0.85 BCHE (0.39) SLC6A2ACHEMAOAMAOBBCHE
Fumaric Acid SCHEMBL7477756 0.85 BCHE (0.39) SLC6A2ACHEMAOAMAOBBCHE
SCHEMBL7483738 0.85 ACHE (0.40) ACHEMAOAMAOBBCHEKDM4E
SCHEMBL7484619 0.78 BCHE (0.38) ACHEMAOAMAOBBCHEDRD2
SCHEMBL7482205 0.78 DRD2 (0.46) DRD2LIPE
SCHEMBL7481472 0.77 GRIN2D (0.34) DRD2KDM4ELIPE
SCHEMBL7479797 0.77 PKM (0.40) ACHEMAOAMAOB
SCHEMBL7482870 0.76 ABHD6 (0.48) ACHEBCHELIPE

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-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed