Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 4/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12606642 | 1.00 | CTSL (0.46) | CTSLKLK7KLK5ITGB3ITGA2B | |
| SCHEMBL16349775 | 1.00 | CTSL (0.46) | CTSLKLK7KLK5ITGB3ITGA2B | |
| SCHEMBL13685428 | 1.00 | CTSL (0.46) | CTSLKLK7KLK5ITGB3ITGA2B | |
| SCHEMBL30557021 | 0.87 | ACE (0.49) | CTSLKLK5ACE | |
| SCHEMBL12564566 | 0.84 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRCASP1SMN1; SMN2 | |
| SCHEMBL16349597 | 0.84 | HDAC8 (0.39) | CTSLITGB3ITGA2BTSHR | |
| SCHEMBL12606640 | 0.84 | HDAC8 (0.39) | CTSLITGB3ITGA2BTSHR | |
| SCHEMBL13685433 | 0.84 | HDAC8 (0.39) | CTSLITGB3ITGA2BTSHR | |
| SCHEMBL13685375 | 0.84 | HDAC8 (0.39) | CTSLITGB3ITGA2BTSHR | |
| SCHEMBL8054952 | 0.82 | CTSL (0.41) | CTSLKLK7KLK5ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |