Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 18/20 | 0.42 |
| ▸ | CA1 | P00915 | 9/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878130 | 0.92 | KMT2A (0.46) | CTSS | |
| SCHEMBL6876745 | 0.89 | SMN1; SMN2 (0.43) | CTSSCA1 | |
| SCHEMBL6880457 | 0.88 | CTSS (0.59) | CTSSCA2 | |
| SCHEMBL6879857 | 0.87 | CTSS (0.43) | CTSS | |
| SCHEMBL6878320 | 0.87 | CCR1 (0.40) | CTSS | |
| SCHEMBL6879156 | 0.85 | CTSS (0.34) | CTSS | |
| SCHEMBL6880100 | 0.85 | CTSS (0.47) | CTSS | |
| SCHEMBL6878825 | 0.84 | CTSS (0.46) | CTSS | |
| SCHEMBL6877232 | 0.80 | METAP2 (0.47) | CTSS | |
| SCHEMBL6878211 | 0.79 | CTSS (0.49) | CTSS |
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 |