Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 18/20 | 0.65 |
| ▸ | CTSB | P07858 | 5/20 | 0.48 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL17008360 | 0.93 | CTSK (0.76) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008298 | 0.92 | CTSK (0.68) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008260 | 0.92 | CTSK (0.68) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008374 | 0.92 | CTSK (0.54) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17020474 | 0.90 | CTSK (0.66) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008254 | 0.89 | CTSK (0.74) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008665 | 0.87 | CTSK (0.76) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008666 | 0.87 | CTSK (0.85) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008301 | 0.86 | CTSK (0.76) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL17008257 | 0.86 | CTSK (0.76) | CTSKCTSBCTSSKCNH2 |
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-3104705-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | claimed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | claimed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | claimed |