Fumaric Acid

Fumaric Acid

SCHEMBL7813557

Brc1csc(Cc2c[nH]cn2)c1Br.O=C(O)C=CC(=O)O

nearest known ligand 0.40

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 1)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D known ✓ P25100 2/20 0.40

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 SCHEMBL7813556 1.00 ADRA1D (0.40) ADRA1D
Fumaric Acid SCHEMBL7809161 0.88 ADRA1D (0.33) ADRA1D
Fumaric Acid SCHEMBL7809151 0.88 ADRA1D (0.33) ADRA1D
Fumaric Acid SCHEMBL7813518 0.81 ADRA1D (0.41) ADRA1D
Fumaric Acid SCHEMBL7813515 0.81 ADRA1D (0.41) ADRA1D
Fumaric Acid SCHEMBL7641574 0.73 HCAR2 (0.36) —
Fumaric Acid SCHEMBL6960368 0.73 MAPT (0.33) —
Fumaric Acid SCHEMBL6960373 0.73 MAPT (0.33) —
Fumaric Acid SCHEMBL7641580 0.73 HCAR2 (0.36) —
Fumaric Acid SCHEMBL6972062 0.72 MAPT (0.35) —

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-0889891-B1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2001-06-06 — — EP disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 — — US disclosed
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