Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.51 |
| ▸ | WNT3A | P56704 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | EDNRB | P24530 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400727 | 0.92 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL7404248 | 0.87 | EDNRB (0.61) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL109197 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| Piperonylic Acid SCHEMBL3936749 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL31114377 | 0.80 | CYP3A4 (1.00) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL2461730 | 0.80 | CYP3A4 (1.00) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL3944098 | 0.79 | CYP3A4 (0.75) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL138875 | 0.79 | CYP3A4 (0.75) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL29642680 | 0.79 | CYP3A4 (0.75) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 | |
| SCHEMBL7332204 | 0.78 | CYP3A4 (0.73) | ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0650484-B1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2000-01-26 | — | — | EP | claimed |
| EP-0650484-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-05-03 | — | — | EP | claimed |
| WO-1994002474-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-02-03 | — | — | WO | claimed |
| EP-0650484-B1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5559105-A | ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0650484-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-05-03 | — | — | EP | disclosed |
| WO-1994002474-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-02-03 | — | — | WO | disclosed |