Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 9/20 | 0.38 |
| ▸ | CTSD | P07339 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8050873 | 1.00 | BACE1 (0.38) | BACE1CTSDALDH1A1NPSR1GAA | |
| SCHEMBL8290344 | 0.92 | CTSD (0.41) | BACE1CTSDGAA | |
| SCHEMBL13685396 | 0.91 | ADAM17 (0.37) | BACE1CTSD | |
| SCHEMBL13685135 | 0.91 | BACE1 (0.35) | BACE1CTSD | |
| SCHEMBL8290718 | 0.88 | BACE1 (0.33) | BACE1CTSD | |
| SCHEMBL8290280 | 0.88 | BACE1 (0.31) | BACE1GAA | |
| SCHEMBL8050876 | 0.88 | BACE1 (0.31) | BACE1GAA | |
| SCHEMBL13685576 | 0.87 | BACE1 (0.33) | BACE1 | |
| SCHEMBL16349766 | 0.86 | BACE1 (0.37) | BACE1CTSDGAA | |
| SCHEMBL16349735 | 0.86 | BACE1 (0.37) | BACE1CTSDGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |