Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.53 |
| ▸ | CTSD | P07339 | 4/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5222810 | 0.90 | BACE1 (0.51) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5223578 | 0.89 | BACE1 (0.45) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5219794 | 0.88 | BACE1 (0.44) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5219489 | 0.84 | ALDH1A1 (0.47) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5216936 | 0.79 | BACE1 (0.44) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5389542 | 0.79 | BACE1 (0.42) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5389115 | 0.79 | BACE1 (0.43) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5219279 | 0.78 | CTSD (0.51) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL5220770 | 0.78 | BACE1 (0.52) | BACE1CTSDBACE2ALDH1A1CYP2C9 | |
| SCHEMBL308351 | 0.77 | NPC1 (0.44) | ALDH1A1HPGDGAAMEN1KMT2A |
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 |