Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 14/20 | 0.47 |
| ▸ | CTSL | P07711 | 9/20 | 0.47 |
| ▸ | CTSB | P07858 | 5/20 | 0.47 |
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567346 | 0.86 | L3MBTL1 (0.40) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL6565436 | 0.83 | CTSL (0.39) | CTSSCTSL | |
| SCHEMBL6565446 | 0.81 | MCL1 (0.40) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL7438096 | 0.80 | CTSS (0.42) | CTSSCTSLCTSBCTSK | |
| SCHEMBL5528484 | 0.77 | CTSS (0.55) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6563875 | 0.77 | CTSS (0.50) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6563724 | 0.76 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3902634 | 0.75 | CTSS (0.49) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL6062786 | 0.75 | CTSK (0.41) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6063061 | 0.74 | CTSK (0.43) | CTSSCTSLCTSBCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |