Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6209280 | 1.00 | KDM4E (0.36) | KDM4EUSP2ALDH1A1CTSBAAK1 | |
| SCHEMBL4703534 | 0.90 | GSK3B (0.33) | AAK1 | |
| SCHEMBL4702315 | 0.89 | AAK1 (0.33) | CTSBAAK1 | |
| SCHEMBL4700000 | 0.85 | CTSB (0.34) | ALDH1A1CTSBAAK1 | |
| SCHEMBL4703740 | 0.84 | CTSL (0.33) | AAK1 | |
| SCHEMBL4703744 | 0.82 | KDM4E (0.36) | KDM4EUSP2ALDH1A1CTSB | |
| SCHEMBL4703503 | 0.82 | KDM4E (0.36) | KDM4EUSP2ALDH1A1CTSB | |
| SCHEMBL6208510 | 0.76 | CTSB (0.39) | CTSBAAK1 | |
| SCHEMBL4701834 | 0.76 | CTSB (0.39) | CTSBAAK1 | |
| SCHEMBL4700769 | 0.73 | CTSL (0.38) | CTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1372655-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-10-12 | — | — | EP | disclosed |
| EP-1372655-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002069901-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-09-12 | — | — | WO | disclosed |