Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7565521 | 1.00 | SIGMAR1 (0.43) | SIGMAR1XIAPBIRC2CTSKCTSL | |
| SCHEMBL6771044 | 0.85 | CTSK (0.44) | CTSKCTSLCTSS | |
| SCHEMBL6771052 | 0.85 | CTSK (0.44) | CTSKCTSLCTSS | |
| SCHEMBL5099108 | 0.80 | CTSK (0.51) | SIGMAR1XIAPBIRC2CTSKCTSL | |
| SCHEMBL6599017 | 0.78 | CTSK (0.43) | SIGMAR1XIAPBIRC2CTSKCTSL | |
| SCHEMBL4924362 | 0.73 | CTSK (0.56) | CTSKCTSLCTSS | |
| SCHEMBL6592566 | 0.73 | CTSK (0.36) | CTSKCTSLCTSS | |
| SCHEMBL6766533 | 0.72 | CTSK (0.36) | CTSKCTSLCTSS | |
| SCHEMBL6765207 | 0.72 | CYP3A4 (0.45) | CTSK | |
| SCHEMBL6761962 | 0.71 | POLB (0.46) | CTSKCTSLCTSS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |