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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 13/20 | 0.54 |
| ▸ | ADRA1B known ✓ | P35368 | 13/20 | 0.54 |
| ▸ | ADRA1D known ✓ | P25100 | 11/20 | 0.54 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 SCHEMBL7834171 | 0.92 | ADRA1A (0.56) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7831039 | 0.90 | ADRA1A (0.54) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7831046 | 0.90 | ADRA1A (0.54) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7831267 | 0.88 | ADRA1A (0.56) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL7834372 | 0.88 | ADRA1A (0.66) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7835664 | 0.87 | ADRA1A (0.59) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7835661 | 0.87 | ADRA1A (0.59) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7834846 | 0.87 | ADRA1A (0.58) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7834848 | 0.87 | ADRA1A (0.58) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7830572 | 0.87 | ADRA1A (0.65) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0748800-B1 | Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2001-05-09 | — | — | EP | disclosed |
| EP-0748800-A2 | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-18 | — | — | EP | disclosed |