Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 6/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 4/20 | 0.32 |
| ▸ | CTSS | P25774 | 4/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CIT | O14578 | 2/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4702315 | 0.89 | AAK1 (0.33) | CTSBCTSKAAK1CTSLCTSS | |
| SCHEMBL4703534 | 0.88 | GSK3B (0.33) | CTSKAAK1CTSLCTSS | |
| SCHEMBL4703740 | 0.88 | CTSL (0.33) | CTSKAAK1CTSLCTSS | |
| SCHEMBL6209286 | 0.85 | KDM4E (0.36) | CTSBAAK1ALDH1A1 | |
| SCHEMBL6209280 | 0.85 | KDM4E (0.36) | CTSBAAK1ALDH1A1 | |
| SCHEMBL6208510 | 0.84 | CTSB (0.39) | CTSBCTSKAAK1CTSLCTSS | |
| SCHEMBL4701834 | 0.84 | CTSB (0.39) | CTSBCTSKAAK1CTSLCTSS | |
| SCHEMBL4700769 | 0.80 | CTSL (0.38) | CTSBCTSKCTSLCTSS | |
| SCHEMBL4701624 | 0.71 | CTSL (0.42) | CTSBCTSLCTSS | |
| SCHEMBL4701582 | 0.71 | CTSL (0.33) | CTSBALDH1A1CTSLCTSS |
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 | disclosed |