Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217658 | 0.91 | CTSD (0.49) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5221466 | 0.85 | GAA (0.44) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5394165 | 0.80 | CTSD (0.42) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5223584 | 0.76 | CTSD (0.51) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5223336 | 0.76 | CYP2C9 (0.44) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5221504 | 0.76 | CTSD (0.51) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5221970 | 0.74 | CTSD (0.49) | CTSDBACE1BACE2ALDH1A1CYP2C9 | |
| SCHEMBL5217707 | 0.70 | ALDH1A1 (0.54) | ALDH1A1CYP2C9HPGDCYP3A4CYP1A2 | |
| SCHEMBL5222262 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP2C9HPGDCYP3A4CYP1A2 | |
| SCHEMBL5225090 | 0.69 | BACE1 (0.53) | CTSDBACE1BACE2ALDH1A1CYP2C9 |
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 |