Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.64 |
| ▸ | CTSB | P07858 | 2/20 | 0.57 |
| ▸ | CTSS | P25774 | 2/20 | 0.57 |
| ▸ | CTSK | P43235 | 2/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | F9 | P00740 | 2/20 | 0.49 |
| ▸ | F10 | P00742 | 2/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28854927 | 1.00 | CPB1 (0.64) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL10303639 | 0.90 | CPB1 (0.78) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL4481541 | 0.90 | CPB1 (0.78) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL28376595 | 0.90 | CPB1 (0.78) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL26253812 | 0.89 | CPB1 (0.76) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL13712268 | 0.88 | CPB1 (0.78) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL14161287 | 0.88 | CPB1 (0.78) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL5345577 | 0.87 | CASP3 (0.62) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL22204568 | 0.87 | CASP3 (0.62) | CPB1CTSBCTSSCTSKCTSL | |
| SCHEMBL6200837 | 0.87 | CASP3 (0.62) | CPB1CTSBCTSSCTSKCTSL |
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 |