Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.56 |
| ▸ | CTSB | P07858 | 5/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | CTSS | P25774 | 4/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4614151 | 1.00 | CTSK (0.56) | CTSKCTSBCTSLCTSSTAAR1 | |
| SCHEMBL6137202 | 0.89 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4613963 | 0.89 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4613012 | 0.89 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4612698 | 0.88 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4614500 | 0.88 | CTSK (0.49) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4614068 | 0.88 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL4612897 | 0.88 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL6137161 | 0.88 | CTSK (0.56) | CTSKCTSBCTSLCTSS | |
| SCHEMBL6137009 | 0.88 | CTSK (0.49) | CTSKCTSBCTSLCTSS |
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-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | disclosed |