Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21348399 | 0.90 | ALDH1A1 (0.44) | ALDH1A1PAOXHPGDDUSP3CYP2D6 | |
| SCHEMBL18232438 | 0.85 | PAOX (0.53) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL13693207 | 0.81 | KEAP1 (0.48) | ALDH1A1HPGDDUSP3KEAP1SMN1; SMN2 | |
| SCHEMBL31616908 | 0.80 | ALDH1A1 (0.46) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL76577 | 0.79 | PAOX (0.57) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL721355 | 0.78 | PAOX (0.64) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL2238005 | 0.78 | PAOX (0.59) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL3200520 | 0.78 | PAOX (0.59) | ALDH1A1PAOXHPGDDUSP3CYP2C19 | |
| SCHEMBL8041394 | 0.77 | TSHR (0.51) | ALDH1A1PAOXHPGDDUSP3CYP2D6 | |
| SCHEMBL22651218 | 0.77 | ALDH1A1 (0.55) | ALDH1A1PAOXHPGDDUSP3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009071707-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |