Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL16636150 | 1.00 | CTSK (0.51) | CTSKPIM1GSK3BDYRK1ACTSS | |
| SCHEMBL16636148 | 0.95 | CTSK (0.44) | CTSKPIM1GSK3BDYRK1ACTSS | |
| SCHEMBL16644737 | 0.93 | CTSK (0.52) | CTSKPIM1GSK3BDYRK1ACTSS | |
| SCHEMBL16636239 | 0.89 | CTSK (0.53) | CTSKPIM1CTSS | |
| SCHEMBL16636226 | 0.86 | CTSK (0.46) | CTSK | |
| SCHEMBL16635952 | 0.85 | CTSK (0.70) | CTSKGSK3BDYRK1ACTSS | |
| SCHEMBL16636590 | 0.85 | CTSK (0.46) | CTSK | |
| SCHEMBL16636004 | 0.85 | CTSK (0.49) | CTSKPIM1GSK3BDYRK1A | |
| SCHEMBL16635788 | 0.85 | CTSK (0.50) | CTSKPIM1GSK3BDYRK1A | |
| SCHEMBL16636185 | 0.85 | CTSK (0.50) | CTSKPIM1GSK3BDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3054947-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-17 | — | — | EP | disclosed |