Fumaric Acid

Fumaric Acid

SCHEMBL9735558

O=C(O)C=CC(=O)O.O=C1CCC(C(=O)N2CCN(CCN3CCCC3)CC2)N1

nearest known ligand 0.43

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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 16)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.33
HRH1 known ✓ P35367 1/20 0.33
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
PARP1 P09874 1/20 0.41
TGM2 P21980 1/20 0.40
NAMPT P43490 6/20 0.39
BLM P54132 1/20 0.37
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
HRH4 Q9H3N8 1/20 0.33
HCRTR2 O43614 1/20 0.33
HRH2 P25021 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 SCHEMBL9735554 1.00 TPSAB1 (0.43) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9735813 0.91 TPSAB1 (0.45) TPSAB1TPSD1TPSG1PARP1TGM2
Fumaric Acid SCHEMBL9735123 0.90 TPSAB1 (0.42) TPSAB1TPSD1TPSG1PARP1TGM2
Maleic Acid SCHEMBL9735116 0.90 TPSAB1 (0.42) TPSAB1TPSD1TPSG1PARP1TGM2
Maleic Acid SCHEMBL8824254 0.82 ALOX15 (0.45) TPSAB1TPSD1TPSG1PARP1TGM2
SCHEMBL9735044 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PARP1TGM2
Fumaric Acid SCHEMBL9735177 0.80 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
Maleic Acid SCHEMBL9735173 0.80 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PARP1TGM2
Fumaric Acid SCHEMBL9735616 0.80 TSHR (0.46) TPSAB1TPSD1TPSG1PARP1TGM2
Fumaric Acid SCHEMBL9735611 0.80 TSHR (0.46) TPSAB1TPSD1TPSG1PARP1TGM2

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