Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7559089 | 0.91 | BACE1 (0.46) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13055263 | 0.91 | BACE1 (0.46) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13055163 | 0.89 | BACE1 (0.46) | BACE1CYP3A4CYP2D6CYP2C9BACE2 | |
| SCHEMBL7573377 | 0.89 | BACE1 (0.46) | BACE1CYP3A4CYP2D6CYP2C9BACE2 | |
| SCHEMBL7547484 | 0.89 | BACE1 (0.45) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7600572 | 0.89 | BACE1 (0.46) | BACE1CYP3A4CYP2D6CYP2C9BACE2 | |
| SCHEMBL13055328 | 0.89 | BACE1 (0.45) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14106294 | 0.89 | BACE1 (0.49) | BACE1CYP3A4CYP2D6CYP2C9BACE2 | |
| SCHEMBL14105130 | 0.89 | BACE1 (0.49) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7548211 | 0.88 | BACE1 (0.48) | BACE1CYP3A4CYP2D6CYP2C9 |
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-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |