Fumaric Acid

Fumaric Acid

SCHEMBL8650993

O=C(O)C=CC(=O)O.O=C1c2ccccc2S(=O)(=O)N1C(CCN1CCCC1)c1ccccc1

nearest known ligand 0.43

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 3/20 0.40
HTR1A known ✓ P08908 2/20 0.39
HTR2A known ✓ P28223 2/20 0.39
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
FBP1 P09467 1/20 0.39
OPRK1 P41145 1/20 0.39

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 SCHEMBL8647009 0.99 NPC1 (0.43) NPC1RAB9ADRD2DRD4DRD5
SCHEMBL8644510 0.92 DRD2 (0.45) NPC1RAB9ADRD2DRD4DRD5
Fumaric Acid SCHEMBL8644275 0.92 UTS2R (0.46) NPC1RAB9ADRD2DRD4DRD5
Fumaric Acid SCHEMBL8666121 0.92 NPC1 (0.48) NPC1RAB9ADRD2DRD4DRD5
SCHEMBL8648283 0.91 DRD2 (0.44) NPC1RAB9ADRD2DRD4DRD5
Fumaric Acid SCHEMBL8649719 0.90 HTR1A (0.44) NPC1RAB9ADRD2HTR1AHTR2A
Fumaric Acid SCHEMBL8667106 0.89 NPC1 (0.44) NPC1RAB9ADRD2DRD4DRD5
Fumaric Acid SCHEMBL8648545 0.85 FBP1 (0.38) NPC1RAB9ACA2CA9CA12
Fumaric Acid SCHEMBL8646610 0.85 DRD2 (0.43) DRD2DRD4DRD5DRD3CA9
Fumaric Acid SCHEMBL8651068 0.85 NPC1 (0.39) NPC1RAB9ACA9CA12

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-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed