Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 15/20 | 0.57 |
| ▸ | CTSS | P25774 | 15/20 | 0.57 |
| ▸ | CTSL | P07711 | 13/20 | 0.57 |
| ▸ | CTSK | P43235 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4703896 | 0.79 | CTSB (0.70) | CTSBCTSSCTSLCTSKSMN1; SMN2 | |
| SCHEMBL6183485 | 0.73 | CTSB (1.00) | CTSBCTSSCTSLCTSK | |
| SCHEMBL4703916 | 0.73 | CTSB (0.54) | CTSBCTSSCTSLCTSKKCNH2 | |
| SCHEMBL6182464 | 0.71 | CTSK (0.64) | CTSBCTSSCTSLCTSK | |
| SCHEMBL7042069 | 0.71 | CTSB (0.51) | CTSBCTSSCTSLCTSKSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL6182305 | 0.70 | CTSB (0.89) | CTSBCTSSCTSLCTSK | |
| SCHEMBL15741078 | 0.70 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9AALDH1A1MAPK1 | |
| SCHEMBL15741082 | 0.70 | SMN1; SMN2 (0.57) | SMN1; SMN2RAB9AALDH1A1MAPK1 | |
| SCHEMBL4698741 | 0.70 | CTSB (0.58) | CTSBCTSSCTSLCTSKSMN1; SMN2 | |
| SCHEMBL1841459 | 0.70 | CTSK (0.53) | CTSBCTSSCTSLCTSKSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1372655-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-10-01 | — | — | EP | claimed |