Fumaric Acid

Fumaric Acid

SCHEMBL5682180

Cc1nn(C[C@H](C)N)c2cc(F)c(F)cc12.O=C(O)C=CC(=O)O

nearest known ligand 0.37

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 16)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 6/20 0.37
HTR2C known ✓ P28335 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
GFER P55789 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
KMO O15229 1/20 0.35
SLC22A12 Q96S37 5/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK5 Q16478 1/20 0.34
BLM P54132 1/20 0.33
APAF1 O14727 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
Fumaric Acid SCHEMBL5682166 1.00 HTR2A (0.37) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL5682016 0.91 HTR2A (0.41) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL5682001 0.91 HTR2A (0.41) HTR2AHTR2CNPSR1LMNAPMP22
SCHEMBL905693 0.88 ADORA2A (0.45) HTR2AHTR2CADORA2AADORA2B
Fumaric Acid SCHEMBL4845606 0.82 HTR2A (0.47) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL4845619 0.82 HTR2A (0.47) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL5678010 0.80 GLS (0.46) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL5678017 0.80 GLS (0.46) HTR2AHTR2CNPSR1LMNAPMP22
Fumaric Acid SCHEMBL5682174 0.80 ADORA2A (0.56) ADORA2AADORA2BKMOSLC22A12
Fumaric Acid SCHEMBL6364123 0.79 HTR2C (0.48) HTR2AHTR2CKMOSLC22A12

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
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US disclosed