Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4768429 | 0.72 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6590849 | 0.72 | SLC6A2 (0.33) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6593956 | 0.69 | SLC6A2 (0.34) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6591070 | 0.67 | — | — | |
| SCHEMBL7023360 | 0.65 | SLC6A2 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL3379783 | 0.65 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL9144078 | 0.65 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL3435014 | 0.63 | DDB1 (0.41) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL937225 | 0.62 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL6967580 | 0.61 | SLC6A4 (0.52) | SLC6A4SLC6A2SLC6A3KCNH2 |
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 |