Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.52 |
| ▸ | WNT3A | P56704 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399206 | 0.92 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL7397215 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL7404248 | 0.85 | EDNRB (0.61) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL1554690 | 0.82 | CTNNB1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL7396280 | 0.79 | HPGD (0.52) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL7396276 | 0.79 | HPGD (0.52) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL31114377 | 0.77 | CYP3A4 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL2461730 | 0.77 | CYP3A4 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL3944098 | 0.77 | CYP3A4 (0.75) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A | |
| SCHEMBL29642680 | 0.77 | CYP3A4 (0.75) | ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A |
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 |