Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 17/20 | 0.54 |
| ▸ | CTSS | P25774 | 11/20 | 0.39 |
| ▸ | CTSB | P07858 | 10/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617653 | 1.00 | CTSK (0.54) | CTSKCTSSCTSBGABRA5CTSL | |
| SCHEMBL16637621 | 0.87 | CTSK (0.55) | CTSKCTSSCTSBCTSLKCNH2 | |
| SCHEMBL16617578 | 0.87 | CTSK (0.55) | CTSKCTSSCTSBCTSLKCNH2 | |
| SCHEMBL16617498 | 0.83 | CTSK (0.78) | CTSKCTSSCTSBKCNH2 | |
| SCHEMBL16617497 | 0.83 | CTSK (0.69) | CTSKCTSSCTSBKCNH2 | |
| SCHEMBL16638049 | 0.83 | CTSK (0.78) | CTSKCTSSCTSBKCNH2 | |
| SCHEMBL16617996 | 0.76 | CTSK (0.74) | CTSKCTSSCTSBCTSLKCNH2 | |
| SCHEMBL16617671 | 0.76 | CTSK (0.54) | CTSKCTSSCTSBKCNH2 | |
| SCHEMBL16617251 | 0.76 | CTSK (0.71) | CTSKCTSSCTSBCTSLKCNH2 | |
| SCHEMBL16618058 | 0.75 | CTSK (0.59) | CTSKCTSSCTSBCTSLKCNH2 |
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-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | claimed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | claimed |