Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 17/20 | 0.50 |
| ▸ | CTSL | P07711 | 11/20 | 0.50 |
| ▸ | CTSK | P43235 | 4/20 | 0.50 |
| ▸ | CTSB | P07858 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6563724 | 0.83 | CTSS (0.48) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3895543 | 0.83 | CTSS (0.51) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7437463 | 0.77 | CTSS (0.47) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6565489 | 0.77 | CTSS (0.47) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7438096 | 0.75 | CTSS (0.42) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3893564 | 0.75 | CTSS (0.56) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3907310 | 0.72 | CTSS (0.64) | CTSSCTSLCTSKCTSB | |
| SCHEMBL11561410 | 0.72 | NPC1 (0.65) | — | |
| SCHEMBL27783096 | 0.72 | NPC1 (0.65) | — | |
| SCHEMBL3027455 | 0.71 | CTSS (0.68) | CTSSCTSLCTSKCTSB |
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 |