Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | CTSL | P07711 | 3/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 5/20 | 0.34 |
| ▸ | MBTPS1 | Q14703 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL4763254 | 0.80 | CTSD (0.38) | CTSKCTSLCTSBCTSSKCNH2 | |
| SCHEMBL4763258 | 0.80 | CTSD (0.38) | CTSKCTSLCTSBCTSSKCNH2 | |
| SCHEMBL6588230 | 0.79 | CHEK1 (0.36) | CTSKCTSLCTSBCTSSKCNH2 | |
| SCHEMBL4766735 | 0.78 | CTSK (0.38) | CTSKCTSLCTSBCTSSMAPK1 | |
| SCHEMBL7426317 | 0.75 | CTSK (0.37) | CTSKCTSLCTSBCTSSKCNH2 | |
| SCHEMBL6589591 | 0.72 | CTSK (0.34) | CTSKCTSLCTSBCTSSACP1 | |
| SCHEMBL6605289 | 0.71 | SLC6A2 (0.34) | CTSKCTSLCTSBCTSSKCNH2 | |
| SCHEMBL5096695 | 0.70 | CTSK (0.54) | CTSKCTSLCTSBCTSS | |
| SCHEMBL5096682 | 0.70 | CTSK (0.54) | CTSKCTSLCTSBCTSS | |
| SCHEMBL6589085 | 0.69 | HCRTR1 (0.33) | CTSKCTSLCTSBCTSSKCNH2 |
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 6 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 |
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |