Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 11/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17282912 | 1.00 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14384109 | 1.00 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL6623815 | 1.00 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14384110 | 1.00 | CYP2D6 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL3380313 | 0.84 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL31606449 | 0.84 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14931110 | 0.84 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL18359144 | 0.84 | CA1 (0.50) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL13538162 | 0.84 | CYP2D6 (0.53) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14923535 | 0.82 | CA1 (0.53) | CYP2D6CA1CA2CA7CTSK |
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-1067894-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1067894-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999059526-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-25 | — | — | WO | disclosed |