Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 15/20 | 0.52 |
| ▸ | CTSD | P07339 | 16/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5220753 | 1.00 | BACE1 (0.52) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5220089 | 0.97 | BACE1 (0.52) | BACE1BACE2CTSD | |
| SCHEMBL5220103 | 0.97 | BACE1 (0.52) | BACE1BACE2CTSD | |
| SCHEMBL5220746 | 0.92 | BACE1 (0.61) | BACE1BACE2CTSD | |
| SCHEMBL5219452 | 0.90 | BACE1 (0.54) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5220095 | 0.90 | BACE1 (0.61) | BACE1BACE2CTSD | |
| SCHEMBL5222251 | 0.88 | BACE1 (0.55) | BACE1BACE2CTSD | |
| SCHEMBL5220147 | 0.86 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL5220158 | 0.86 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL5218381 | 0.85 | BACE1 (0.54) | BACE1BACE2CTSDCYP3A4CYP2D6 |
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 |