Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.41 |
| ▸ | CTSD | P07339 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5219939 | 0.97 | BACE1 (0.43) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5221774 | 0.89 | BACE1 (0.49) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5223182 | 0.89 | BACE1 (0.40) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5219943 | 0.86 | BACE1 (0.53) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5220629 | 0.85 | BACE1 (0.43) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5221780 | 0.82 | CTSD (0.34) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5226788 | 0.81 | OPRK1 (0.35) | — | |
| SCHEMBL5223868 | 0.81 | CTSD (0.34) | BACE1BACE2CTSDCYP3A4CYP2D6 | |
| SCHEMBL5224678 | 0.79 | PTGS2 (0.34) | ALDH1A1HSD17B10 | |
| SCHEMBL5224671 | 0.79 | PTGS2 (0.34) | ALDH1A1HSD17B10 |
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 |