Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 9/20 | 0.49 |
| ▸ | CTSD | P07339 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 6/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5219943 | 0.97 | BACE1 (0.53) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5221778 | 0.89 | BACE1 (0.41) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5223174 | 0.89 | BACE1 (0.49) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5219939 | 0.86 | BACE1 (0.43) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5220634 | 0.85 | BACE1 (0.52) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5221011 | 0.84 | CTSD (0.39) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5219076 | 0.83 | BACE1 (0.47) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5221784 | 0.82 | CTSD (0.42) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5223775 | 0.81 | KDM4E (0.39) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5226784 | 0.81 | PIK3C3 (0.39) | BACE1BACE2CTSDTP53PIK3C3 |
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 |