Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.65 |
| ▸ | CPB1 | P15086 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 4/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365475 | 1.00 | CASP3 (0.65) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL8297382 | 0.83 | CASP3 (0.58) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL5349983 | 0.83 | CASP3 (0.58) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL608854 | 0.79 | CTSK (0.72) | CTSKCTSLCTSBCTSS | |
| SCHEMBL6943810 | 0.79 | CTSK (0.72) | CTSKCTSLCTSBCTSS | |
| SCHEMBL3383041 | 0.79 | CTSK (0.72) | CTSKCTSLCTSBCTSS | |
| SCHEMBL4481541 | 0.79 | CPB1 (0.78) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL10303639 | 0.79 | CPB1 (0.78) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL28376595 | 0.79 | CPB1 (0.78) | CASP3CPB1CTSKCTSLCTSB | |
| SCHEMBL22204568 | 0.78 | CASP3 (0.62) | CASP3CPB1CTSKCTSLCTSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| WO-2004106285-A1 | BENZAMIDE NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |