Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CTSD | P07339 | 11/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 11/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5216498 | 0.90 | BACE1 (0.47) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5221777 | 0.81 | ALDH1A1 (0.40) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5853388 | 0.78 | ALDH1A1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5223182 | 0.76 | BACE1 (0.40) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5223174 | 0.76 | BACE1 (0.49) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5221708 | 0.76 | BACE1 (0.75) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5221698 | 0.76 | BACE1 (0.75) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5219440 | 0.76 | CTSD (0.58) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5220634 | 0.75 | BACE1 (0.52) | BACE1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5220629 | 0.75 | BACE1 (0.43) | BACE1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |