Fumaric Acid

Fumaric Acid

SCHEMBL9634964

Cc1ccoc1Cn1c(CN2CCN(C)CC2)nc2cccnc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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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
MEN1 known ✓ O00255 1/20 0.39
KMT2A known ✓ Q03164 1/20 0.39
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
LMNA P02545 2/20 0.40
SLC6A9 P48067 1/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 4/20 0.38
HTR7 P34969 1/20 0.38
TBXA2R P21731 1/20 0.38
ENPP2 Q13822 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9687009 0.92 CHRM5 (0.49) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9636371 0.90 CHRM5 (0.41) CHRM5CHRM1LMNASLC6A9TP53
Fumaric Acid SCHEMBL9635803 0.86 CHRM5 (0.52) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9636448 0.84 CHRM5 (0.52) CHRM5CHRM1LMNASLC6A9MEN1
SCHEMBL9686523 0.81 TP53 (0.40) CHRM5CHRM1LMNASLC6A9TP53
Fumaric Acid SCHEMBL9634523 0.80 CHRM5 (0.52) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9635958 0.80 SLC6A9 (0.62) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9635941 0.78 CHRM5 (0.53) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9634772 0.78 CHRM5 (0.51) CHRM5CHRM1LMNASLC6A9MEN1
Fumaric Acid SCHEMBL9634773 0.77 SLC6A9 (0.58) CHRM5CHRM1SLC6A9MEN1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed