Fumaric Acid

Fumaric Acid

SCHEMBL6304471

C[C@H]1CNCCN1c1cc(Cl)cc2ccoc12.O=C(O)C=CC(=O)O

nearest known ligand 0.38

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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
HTR2C known ✓ P28335 6/20 0.35
HTR2A known ✓ P28223 1/20 0.35
HTR2B known ✓ P41595 1/20 0.35
LATS1 O95835 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
AVPR1A P37288 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CHEK1 O14757 1/20 0.34
BRPF1 P55201 2/20 0.34
PAK4 O96013 2/20 0.34
BRD4 O60885 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34

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 SCHEMBL6304470 1.00 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1TP53
Fumaric Acid SCHEMBL6299353 1.00 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1TP53
Fumaric Acid SCHEMBL6299355 1.00 HTR2C (0.35) HTR2CHTR2AHTR2BLATS1TP53
Hydrochloric Acid SCHEMBL6300397 0.89 HTR2C (0.40) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6299115 0.88 LATS1 (0.35) HTR2CHTR2BLATS1CHEK1BRPF1
Fumaric Acid SCHEMBL6299113 0.88 LATS1 (0.35) HTR2CHTR2BLATS1CHEK1BRPF1
Fumaric Acid SCHEMBL6298258 0.86 BRPF1 (0.38) HTR2CHTR2AHTR2BLATS1TP53
Fumaric Acid SCHEMBL6298259 0.86 BRPF1 (0.38) HTR2CHTR2AHTR2BLATS1TP53
Fumaric Acid SCHEMBL6305370 0.85 XDH (0.38) HTR2CHTR2AHTR2BLATS1
Fumaric Acid SCHEMBL6298247 0.85 XDH (0.38) HTR2CHTR2AHTR2BLATS1

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-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed