Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CTSD | P07339 | 10/20 | 0.46 |
| ▸ | BACE1 | P56817 | 10/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 10/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5218016 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5219440 | 0.86 | CTSD (0.58) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5224476 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5221415 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5222224 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5221127 | 0.84 | CTSD (0.56) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5221530 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5220114 | 0.83 | CTSD (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5221595 | 0.82 | USP2 (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5217257 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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 |