Fumaric Acid

Fumaric Acid

SCHEMBL7991247

Fc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.81

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 15)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 9/20 0.81
MEN1 known ✓ O00255 1/20 0.61
KMT2A known ✓ Q03164 1/20 0.61
HTR1A known ✓ P08908 1/20 0.49
DRD4 P21917 8/20 0.81
DRD3 P35462 8/20 0.81
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 1/20 0.59
PMP22 Q01453 1/20 0.59
KDM4E B2RXH2 2/20 0.58
TSHR P16473 2/20 0.57
SLC6A7 Q99884 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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 SCHEMBL7991244 1.00 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7988476 0.93 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7988479 0.93 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7504470 0.90 DRD2 (1.00) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7991705 0.88 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7991707 0.88 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7995132 0.86 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7995130 0.86 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7988477 0.84 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7988118 0.84 DRD2 (0.82) DRD2DRD4DRD3ALDH1A1MEN1

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
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed