Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 17/20 | 0.66 |
| ▸ | CTSS | P25774 | 17/20 | 0.66 |
| ▸ | CTSK | P43235 | 17/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8224558 | 0.95 | CTSB (0.73) | CTSBCTSSCTSKCYP1A2 | |
| SCHEMBL8217452 | 0.89 | CTSS (0.68) | CTSBCTSSCTSKCYP1A2 | |
| SCHEMBL8229166 | 0.88 | CTSB (0.76) | CTSBCTSSCTSKCYP1A2 | |
| SCHEMBL8225937 | 0.88 | CTSB (0.67) | CTSBCTSSCTSKCYP1A2 | |
| SCHEMBL345110 | 0.85 | CTSS (0.91) | CTSBCTSSCTSK | |
| SCHEMBL347413 | 0.84 | CTSS (0.92) | CTSBCTSSCTSK | |
| SCHEMBL11917586 | 0.82 | CTSS (0.71) | CTSBCTSSCTSK | |
| SCHEMBL8225355 | 0.82 | CTSB (0.67) | CTSBCTSSCTSKCYP1A2USP2 | |
| SCHEMBL17066765 | 0.82 | CTSS (0.50) | CTSBCTSSCTSKCYP2C9USP2 | |
| SCHEMBL346003 | 0.80 | CTSB (1.00) | CTSBCTSSCTSK |
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-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | disclosed |