Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL5223738 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5222704 | 0.89 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5222712 | 0.89 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5225686 | 0.87 | KMT2A (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5225688 | 0.87 | KMT2A (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5219444 | 0.82 | MEN1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL475775 | 0.82 | MEN1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5218127 | 0.82 | KMT2A (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5854074 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5221306 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD |
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 |