Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 4/20 | 0.37 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5218901 | 0.96 | BACE1 (0.40) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5221011 | 0.87 | CTSD (0.39) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5218910 | 0.85 | MCL1 (0.34) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5223859 | 0.84 | CTSD (0.42) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5223174 | 0.82 | BACE1 (0.49) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5220634 | 0.79 | BACE1 (0.52) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5221024 | 0.77 | PIK3C3 (0.35) | POLBTP53PIK3C3MAPT | |
| SCHEMBL5221777 | 0.76 | ALDH1A1 (0.40) | BACE1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5221196 | 0.73 | CTSD (0.42) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5223868 | 0.73 | CTSD (0.34) | CTSDBACE1BACE2CYP3A4CYP2D6 |
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 |