Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | BCL9 | O00512 | 8/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL5105824 | 1.00 | CACNA1B (0.45) | CACNA1BCTSKBCL9CTNNB1ALDH1A1 | |
| SCHEMBL5105827 | 1.00 | CACNA1B (0.45) | CACNA1BCTSKBCL9CTNNB1ALDH1A1 | |
| SCHEMBL7562941 | 0.91 | MMP2 (0.48) | CACNA1BCTSKALDH1A1LMNAMMP2 | |
| SCHEMBL5099149 | 0.91 | MMP2 (0.48) | CACNA1BCTSKALDH1A1LMNAMMP2 | |
| SCHEMBL5099152 | 0.91 | MMP2 (0.48) | CACNA1BCTSKALDH1A1LMNAMMP2 | |
| SCHEMBL5105698 | 0.90 | CACNA1B (0.46) | CACNA1BCTSKBCL9CTNNB1 | |
| SCHEMBL5105702 | 0.90 | CACNA1B (0.46) | CACNA1BCTSKBCL9CTNNB1 | |
| SCHEMBL7036592 | 0.90 | CTSK (0.51) | CACNA1BCTSK | |
| SCHEMBL4902191 | 0.90 | CTSK (0.51) | CACNA1BCTSK | |
| SCHEMBL5582054 | 0.85 | CACNA1B (0.47) | CACNA1BCTSK |
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 |