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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 20/20 | 0.88 |
| ▸ | ADRA1B known ✓ | P35368 | 16/20 | 0.88 |
| ▸ | ADRA1D known ✓ | P25100 | 14/20 | 0.86 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6425260 | 1.00 | ADRA1A (0.88) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6367118 | 0.94 | ADRA1A (1.00) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6366241 | 0.92 | ADRA1A (1.00) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6365677 | 0.84 | ADRA1A (0.81) | ADRA1AADRA1BADRA1D | |
| Fumaric Acid SCHEMBL6367640 | 0.80 | ADRA1A (0.87) | ADRA1AADRA1BADRA1D | |
| Fumaric Acid SCHEMBL6367644 | 0.80 | ADRA1A (0.87) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6366979 | 0.79 | ADRA1A (0.72) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6365969 | 0.79 | ADRA1A (0.72) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6367199 | 0.79 | ADRA1A (0.72) | ADRA1AADRA1BADRA1D | |
| SCHEMBL6371379 | 0.79 | ADRA1A (0.72) | ADRA1AADRA1BADRA1D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6884801-B1 | Imidazoline derivatives as alpha-1A adrenoceptor ligands | SMITHKLINE BEECHAM CORPORATION (US) | 2005-04-26 | — | — | US | disclosed |