Fumaric Acid

Fumaric Acid

SCHEMBL9735177

O=C(O)C=CC(=O)O.O=C1CCC(C(=O)N2CCN(CC(=O)N3CCNCC3)CC2)N1

nearest known ligand 0.47

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
MEN1 known ✓ O00255 1/20 0.31
KMT2A known ✓ Q03164 1/20 0.31
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NAMPT P43490 2/20 0.36
PARP1 P09874 1/20 0.36
TGM2 P21980 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33

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 SCHEMBL9735173 1.00 TPSAB1 (0.47) TPSAB1TPSD1TPSG1DDB1CRBN
Maleic Acid SCHEMBL8824254 0.88 ALOX15 (0.45) TPSAB1TPSD1TPSG1NAMPTPARP1
Maleic Acid SCHEMBL9734878 0.88 TPSAB1 (0.40) TPSAB1TPSD1TPSG1NAMPTPARP1
Fumaric Acid SCHEMBL9735611 0.84 TSHR (0.46) TPSAB1TPSD1TPSG1NAMPTPARP1
Fumaric Acid SCHEMBL9735616 0.84 TSHR (0.46) TPSAB1TPSD1TPSG1NAMPTPARP1
SCHEMBL9734807 0.83 GAA (0.46) TPSAB1TPSD1TPSG1NAMPTPARP1
SCHEMBL9735768 0.82 GAA (0.49) TPSAB1TPSD1TPSG1NAMPTPARP1
SCHEMBL9735396 0.82 GAA (0.51) TPSAB1TPSD1TPSG1NAMPTPARP1
SCHEMBL9734899 0.81 GAA (0.54) TPSAB1TPSD1TPSG1NAMPTPARP1
SCHEMBL13780327 0.80 TPSAB1 (0.53) TPSAB1TPSD1TPSG1DDB1CRBN

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed