Fumaric Acid

Fumaric Acid

SCHEMBL6366510

Cn1cccc1-c1ccccc1NCC1=NCCN1.O=C(O)C=CC(=O)O

nearest known ligand 0.82

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 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A known ✓ P35348 20/20 0.82
▸ ADRA1D known ✓ P25100 12/20 0.82
▸ ADRA1B known ✓ P35368 10/20 0.60
▸ ADRA2A known ✓ P08913 1/20 0.56
▸ ADRA2B known ✓ P18089 1/20 0.56
▸ ADRA2C known ✓ P18825 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56

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 SCHEMBL6366505 1.00 ADRA1A (0.82) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6371845 0.91 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6371220 0.88 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6371209 0.88 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6372759 0.86 ADRA1A (0.82) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6372769 0.86 ADRA1A (0.82) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6365981 0.85 ADRA1A (0.82) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6365974 0.85 ADRA1A (0.82) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL7531639 0.84 ADRA1A (0.68) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6367357 0.82 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B

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
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 — — EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO disclosed
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