Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 20/20 | 0.70 |
| ▸ | ADRA1B | P35368 | 20/20 | 0.70 |
| ▸ | ADRA1D | P25100 | 17/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL7830487 | 0.91 | ADRA1A (0.78) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7833761 | 0.87 | ADRA1A (0.74) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7833753 | 0.87 | ADRA1A (0.74) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7833998 | 0.86 | ADRA1A (0.81) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7833785 | 0.83 | ADRA1A (0.76) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| SCHEMBL6802383 | 0.82 | ADRA1A (1.00) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7848291 | 0.82 | ADRA1A (0.98) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5165745 | 0.81 | ADRA1A (0.98) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7821328 | 0.79 | ADRA1A (0.89) | ADRA1AADRA1BADRA1DCYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7821331 | 0.79 | ADRA1A (0.89) | 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 |