Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 19/20 | 0.82 |
| ▸ | CTSB | P07858 | 9/20 | 0.44 |
| ▸ | CTSS | P25774 | 9/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617823 | 1.00 | CTSK (0.82) | CTSKCTSBCTSSKCNH2FAAH | |
| SCHEMBL16617821 | 0.94 | CTSK (0.73) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617720 | 0.93 | CTSK (0.75) | CTSKCTSBCTSSKCNH2FAAH | |
| SCHEMBL16638044 | 0.91 | CTSK (0.85) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617928 | 0.91 | CTSK (0.85) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16637856 | 0.91 | CTSK (0.83) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617503 | 0.91 | CTSK (0.83) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617857 | 0.90 | CTSK (0.82) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617474 | 0.90 | CTSK (1.00) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16618132 | 0.89 | 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 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 |