Fumaric Acid

Fumaric Acid

SCHEMBL5328857

O=C(O)C=CC(=O)O.O=C1C2CCC(O)CC2C(=O)N1CCCN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.56

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
HTR1A known ✓ P08908 11/20 0.49
DRD2 known ✓ P14416 5/20 0.47
HTR2A known ✓ P28223 2/20 0.45
MEN1 known ✓ O00255 1/20 0.44
KMT2A known ✓ Q03164 1/20 0.44
HTR7 P34969 3/20 0.49
DRD3 P35462 3/20 0.47
HTR6 P50406 1/20 0.45

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 SCHEMBL5328852 1.00 HTR1A (0.49) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL4522586 0.94 HTR1A (0.51) HTR1AHTR7DRD2DRD3HTR2A
Maleic Acid SCHEMBL5326369 0.93 HTR1A (0.50) HTR1AHTR7DRD2DRD3HTR2A
Fumaric Acid SCHEMBL5326379 0.93 HTR1A (0.50) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL4517673 0.93 HTR1A (0.51) HTR1AHTR7DRD2DRD3HTR2A
Succinic Acid SCHEMBL5309268 0.92 HTR1A (0.48) HTR1AHTR7DRD2DRD3HTR2A
Cadaverine Tartrate SCHEMBL5327025 0.91 HTR1A (0.46) HTR1AHTR7DRD2DRD3HTR2A
Phosphoric Acid SCHEMBL5327365 0.91 HTR1A (0.49) HTR1AHTR7DRD2DRD3HTR2A
Maleic Acid SCHEMBL5303503 0.90 HTR1A (0.43) HTR1AHTR7DRD2DRD3HTR2A
Fumaric Acid SCHEMBL5303510 0.90 HTR1A (0.43) HTR1AHTR7DRD2DRD3HTR2A

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
WO-2007010504-A2 ACID ADDITION SALTS OF ISOINDOLES ACTING AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 WO claimed
WO-2007010504-A2 ACID ADDITION SALTS OF ISOINDOLES ACTING AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 WO disclosed