Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 18/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878483 | 0.91 | CTSS (0.60) | CTSSCTSL | |
| SCHEMBL6880457 | 0.91 | CTSS (0.59) | CTSSCTSL | |
| SCHEMBL6879476 | 0.90 | CTSS (0.56) | CTSSCTSL | |
| SCHEMBL6878259 | 0.88 | CTSS (0.47) | CTSSCTSL | |
| SCHEMBL6878130 | 0.87 | KMT2A (0.46) | CTSSKMT2A | |
| SCHEMBL6877831 | 0.81 | CTSS (0.46) | CTSSCTSL | |
| SCHEMBL6876989 | 0.79 | CTSS (0.47) | CTSS | |
| SCHEMBL6877845 | 0.79 | CTSS (0.47) | CTSSKMT2ACTSKCTSL | |
| SCHEMBL6876745 | 0.78 | SMN1; SMN2 (0.43) | CTSSKMT2A | |
| SCHEMBL6878134 | 0.77 | CTSS (0.49) | CTSSKMT2A |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |