Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 15/20 | 0.50 |
| ▸ | CTSK | P43235 | 14/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26110455 | 1.00 | CTSS (0.50) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL26110452 | 1.00 | CTSS (0.50) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL165351 | 0.87 | CYP2D6 (0.53) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL15071355 | 0.87 | CTSK (0.47) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL165350 | 0.87 | CYP2D6 (0.53) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL10829329 | 0.85 | CTSK (0.44) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL2401413 | 0.85 | CTSK (0.44) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL16762943 | 0.83 | CTSK (0.43) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL6769450 | 0.83 | CTSK (0.43) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL5958657 | 0.83 | CTSK (0.56) | CTSSCTSKCTSLCTSBCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445872-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES | Merck Canada Inc. (CA) | 2012-05-02 | — | — | EP | disclosed |
| WO-2010148488-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES | MERCK FROSST CANADA LTD. (CA) | 2010-12-29 | — | — | WO | disclosed |