Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991170 | 0.81 | — | — | |
| SCHEMBL19610492 | 0.78 | GAA (0.40) | CA1CA2GAAAKR1C3LMNA | |
| SCHEMBL1877754 | 0.78 | GAA (0.43) | CA1CA2GAAAKR1C3L3MBTL1 | |
| SCHEMBL19625079 | 0.76 | GAA (0.41) | GAAAKR1C3LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL4189180 | 0.76 | GAA (0.44) | GAAAKR1C3LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL25124370 | 0.72 | BRD4 (0.39) | CA1CA2GAAAKR1C3L3MBTL1 | |
| SCHEMBL7380304 | 0.72 | BRD4 (0.39) | CA1CA2GAAAKR1C3L3MBTL1 | |
| SCHEMBL874304 | 0.72 | — | — | |
| SCHEMBL10122963 | 0.70 | GAA (0.47) | GAAAKR1C3LMNAL3MBTL1BRD4 | |
| Hydrochloric Acid SCHEMBL11837161 | 0.70 | ALDH1A1 (0.37) | CA1CA2GAAAKR1C3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005013909-A3 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-18 | — | — | WO | disclosed |
| WO-2005013909-A2 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2005013909-A2 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-17 | — | — | WO | disclosed |