Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5099108 | 0.81 | CTSK (0.51) | CTSKXIAPBIRC2CTSLCTSS | |
| SCHEMBL4687324 | 0.80 | ALDH1A1 (0.41) | CTSKBIRC2CTSLCTSSSIGMAR1 | |
| SCHEMBL7565531 | 0.78 | SIGMAR1 (0.43) | CTSKXIAPBIRC2CTSLCTSS | |
| SCHEMBL7565521 | 0.78 | SIGMAR1 (0.43) | CTSKXIAPBIRC2CTSLCTSS | |
| SCHEMBL5092992 | 0.77 | HSD11B1 (0.37) | CTSKCTSLCTSS | |
| SCHEMBL4841704 | 0.77 | CTSK (0.43) | CTSKCTSLCTSS | |
| SCHEMBL5099248 | 0.77 | KMT2A (0.45) | — | |
| SCHEMBL5099101 | 0.75 | RAB9A (0.43) | CTSKCTSLCTSS | |
| SCHEMBL5096409 | 0.74 | CTSK (0.43) | CTSKCTSLCTSS | |
| SCHEMBL7429743 | 0.74 | CTSK (0.42) | 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-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |