Fumaric Acid

Fumaric Acid

SCHEMBL5410380

COc1ccccc1N1CCN(CCCN2C(=O)C3CCC(O)CC3C2=O)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 5/20 0.59
HTR1A known ✓ P08908 6/20 0.58
HTR2A known ✓ P28223 1/20 0.58
ADRA1D known ✓ P25100 2/20 0.55
ADRA1A known ✓ P35348 2/20 0.55
ADRA1B known ✓ P35368 2/20 0.55
MEN1 known ✓ O00255 2/20 0.54
KMT2A known ✓ Q03164 2/20 0.54
DRD3 P35462 4/20 0.59
HTR7 P34969 3/20 0.58
HTR6 P50406 1/20 0.58
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX12 P18054 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD4 P21917 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 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 SCHEMBL5428000 1.00 DRD2 (0.59) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL4528941 0.94 DRD2 (0.64) DRD2DRD3HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL4520908 0.93 DRD2 (0.63) DRD2DRD3HTR1AHTR7HTR2A
Succinic Acid SCHEMBL5330215 0.92 DRD2 (0.60) DRD2DRD3HTR1AHTR7HTR2A
Cadaverine Tartrate SCHEMBL5410107 0.90 DRD2 (0.58) DRD2DRD3HTR1AHTR7HTR2A
Phosphoric Acid SCHEMBL5422467 0.90 HTR1A (0.63) DRD2DRD3HTR1AHTR7HTR2A
Maleic Acid SCHEMBL5328852 0.90 HTR1A (0.49) DRD2DRD3HTR1AHTR7HTR2A
Fumaric Acid SCHEMBL5328857 0.90 HTR1A (0.49) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL5176069 0.84 HTR1A (0.55) DRD2DRD3HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL6407537 0.84 HTR1A (0.55) DRD2DRD3HTR1AHTR7HTR2A

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