Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL14106178 | 0.89 | BACE1 (0.36) | BACE1BRD4CYP3A4BACE2CYP2D6 | |
| SCHEMBL14105370 | 0.88 | BACE1 (0.33) | BACE1BRD4 | |
| SCHEMBL14105515 | 0.87 | BACE1 (0.35) | BACE1BRD4CYP3A4BACE2CYP2D6 | |
| SCHEMBL7539867 | 0.87 | BACE1 (0.48) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13407619 | 0.87 | BACE1 (0.48) | BACE1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14105517 | 0.86 | BACE1 (0.35) | BACE1BRD4CYP3A4BACE2CYP2D6 | |
| SCHEMBL14106047 | 0.85 | BACE1 (0.33) | BACE1BACE2 | |
| SCHEMBL14105255 | 0.85 | BACE1 (0.31) | BACE1 | |
| SCHEMBL13558821 | 0.85 | PIM1 (0.35) | BACE1BACE2 | |
| SCHEMBL7536016 | 0.85 | PIM1 (0.35) | BACE1BACE2 |
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-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |