Fumaric Acid

Fumaric Acid

SCHEMBL9602825

CCN(CC)CCOc1cccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)c1.O=C(O)C=CC(=O)O

nearest known ligand 0.40

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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 17)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.34
HTR1A known ✓ P08908 1/20 0.34
PPARG known ✓ P37231 1/20 0.33
MAPK14 Q16539 1/20 0.36
ACHE P22303 3/20 0.34
ESR1 P03372 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BCHE P06276 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARA Q07869 1/20 0.33
ALK Q9UM73 2/20 0.33
GALR3 O60755 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 SCHEMBL9602819 1.00 MAPK14 (0.36) MAPK14ACHEHRH3HTR1AESR1
Fumaric Acid SCHEMBL9601552 0.85 L3MBTL1 (0.37) MAPK14ACHEHRH3KDM4EMAPT
Fumaric Acid SCHEMBL9868348 0.85 L3MBTL1 (0.37) MAPK14ACHEHRH3KDM4EMAPT
Hydrochloric Acid SCHEMBL9603029 0.84 MAPK14 (0.40) MAPK14ACHEHRH3HTR1AESR1
Fumaric Acid SCHEMBL9866661 0.84 LMNA (0.34) KDM4EMAPTCYP3A4
Fumaric Acid SCHEMBL9866670 0.84 LMNA (0.34) KDM4EMAPTCYP3A4
SCHEMBL9601994 0.84 ACHE (0.40) ACHEHRH3HTR1AKDM4EPPARA
Fumaric Acid SCHEMBL9603153 0.83 LMNA (0.34) KDM4EMAPTCYP3A4
Fumaric Acid SCHEMBL9603157 0.83 LMNA (0.34) KDM4EMAPTCYP3A4
SCHEMBL9602191 0.78 DRD2 (0.32) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed