Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8050677 | 1.00 | BACE1 (0.36) | BACE1GAACTSKCTSD | |
| SCHEMBL13685087 | 1.00 | BACE1 (0.36) | BACE1GAACTSKCTSD | |
| SCHEMBL8290582 | 1.00 | BACE1 (0.36) | BACE1GAACTSKCTSD | |
| SCHEMBL16349735 | 0.89 | BACE1 (0.37) | BACE1GAACTSD | |
| SCHEMBL16349766 | 0.89 | BACE1 (0.37) | BACE1GAACTSD | |
| SCHEMBL16349815 | 0.89 | BACE1 (0.31) | BACE1CTSK | |
| SCHEMBL13685296 | 0.89 | BACE1 (0.31) | BACE1CTSK | |
| SCHEMBL16349738 | 0.89 | BACE1 (0.31) | BACE1CTSK | |
| SCHEMBL8291255 | 0.89 | BACE1 (0.31) | BACE1CTSK | |
| SCHEMBL13685168 | 0.88 | BACE1 (0.37) | BACE1GAACTSD |
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 |