Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.77 |
| ▸ | CTSD | P07339 | 17/20 | 0.77 |
| ▸ | BACE2 | Q9Y5Z0 | 14/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224494 | 1.00 | BACE1 (0.77) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5218521 | 0.93 | BACE1 (0.88) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5218519 | 0.93 | BACE1 (0.88) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5224482 | 0.93 | BACE1 (0.88) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5224910 | 0.91 | BACE1 (0.84) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5224907 | 0.91 | BACE1 (0.84) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5223881 | 0.91 | BACE1 (0.75) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5223884 | 0.91 | BACE1 (0.75) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5218513 | 0.87 | BACE1 (1.00) | BACE1CTSDBACE2CYP3A4CYP2D6 | |
| SCHEMBL5222392 | 0.86 | BACE1 (0.76) | BACE1CTSDBACE2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |