Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.63 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 9/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16646190 | 0.92 | CTSK (0.63) | CTSKCTSBACKR3CTSSKCNH2 | |
| SCHEMBL16624861 | 0.92 | CTSK (0.74) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617084 | 0.89 | CTSK (0.64) | CTSKCTSBCTSS | |
| SCHEMBL16617572 | 0.88 | CTSK (0.63) | CTSKCTSBACKR3CTSSKCNH2 | |
| SCHEMBL16637866 | 0.88 | CTSK (0.63) | CTSKCTSBACKR3CTSSKCNH2 | |
| SCHEMBL16617586 | 0.86 | CTSK (0.84) | CTSKCTSBACKR3CTSSKCNH2 | |
| SCHEMBL16624858 | 0.84 | CTSK (0.72) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16624857 | 0.84 | CTSK (0.71) | CTSKCTSBCTSSKCNH2 | |
| SCHEMBL16617083 | 0.83 | CTSK (0.57) | CTSKCTSBACKR3CTSS | |
| SCHEMBL16617441 | 0.83 | CTSK (0.72) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |