Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4549244 | 0.89 | BACE1 (0.52) | BACE1 | |
| SCHEMBL4556671 | 0.83 | BACE1 (0.35) | BACE1BACE2CYP2A6 | |
| SCHEMBL10186854 | 0.82 | BACE1 (0.41) | BACE1BACE2CYP2A6 | |
| SCHEMBL4549191 | 0.72 | BACE1 (0.47) | BACE1 | |
| SCHEMBL4559951 | 0.72 | BACE1 (0.36) | BACE1BACE2CYP2A6 | |
| SCHEMBL12191155 | 0.71 | BACE1 (0.38) | BACE1BACE2 | |
| SCHEMBL7542498 | 0.71 | BACE1 (0.38) | BACE1BACE2 | |
| SCHEMBL4549262 | 0.70 | BACE1 (0.58) | BACE1 | |
| SCHEMBL4556908 | 0.69 | BACE1 (0.46) | BACE1BACE2CYP2A6 | |
| SCHEMBL4557575 | 0.68 | BACE1 (0.38) | BACE1BACE2CYP2A6 |
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-8168641-B2 | Aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-01 | — | — | US | disclosed |