Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | CTSB | P07858 | 2/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL696509 | 0.91 | CTSS (0.56) | CTSSCTSLCTSBCTSK | |
| SCHEMBL696428 | 0.85 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL696064 | 0.85 | CTSS (0.42) | CTSSCTSLCTSBCTSK | |
| SCHEMBL693999 | 0.84 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15173447 | 0.84 | CTSL (0.44) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695949 | 0.84 | CTSS (0.41) | CTSSCTSLCTSBCTSKEPHX2 | |
| SCHEMBL695640 | 0.83 | CTSS (0.40) | CTSSCTSLCTSBCTSK | |
| SCHEMBL696670 | 0.83 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL707038 | 0.82 | CTSS (0.46) | CTSSCTSLCTSBCTSK | |
| SCHEMBL696865 | 0.82 | CTSS (0.41) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |