Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16638095 | 0.91 | CTSK (0.35) | CTSKGSK3BDYRK1APIM1CYP11B1 | |
| SCHEMBL16637624 | 0.87 | CTSK (0.52) | CTSK | |
| SCHEMBL16635718 | 0.85 | CTSK (0.41) | CTSKGSK3BDYRK1APIM1 | |
| SCHEMBL16635679 | 0.85 | CTSK (0.41) | CTSKGSK3BDYRK1APIM1 | |
| SCHEMBL16635677 | 0.85 | CTSK (0.48) | CTSKGSK3BDYRK1APIM1SYK | |
| SCHEMBL16635716 | 0.85 | CTSK (0.48) | CTSKGSK3BDYRK1APIM1SYK | |
| SCHEMBL16635865 | 0.76 | CTSK (0.47) | CTSKGSK3BDYRK1APIM1 | |
| SCHEMBL16635866 | 0.76 | CTSK (0.41) | CTSKGSK3BDYRK1APIM1 | |
| SCHEMBL16635907 | 0.75 | HDAC4 (0.33) | DYRK1APIM1 | |
| SCHEMBL16635786 | 0.74 | CTSK (0.43) | CTSKGSK3BDYRK1APIM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |