Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 11/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7441196 | 1.00 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL26531724 | 0.87 | CA1 (0.53) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL13223277 | 0.84 | CA1 (0.46) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL19345914 | 0.84 | CA1 (0.46) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL11193697 | 0.84 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL7452661 | 0.83 | CA1 (0.45) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL29458939 | 0.83 | CA1 (0.45) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL8202483 | 0.82 | CA1 (0.44) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL19345919 | 0.82 | CA1 (0.44) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL11378186 | 0.81 | CA1 (0.46) | CA1CA2CA7CTSKCYP2D6 |
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-1140897-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1140897-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039115-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |