Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296282 | 0.77 | L3MBTL1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL7403424 | 0.76 | MAPT (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL7396662 | 0.75 | L3MBTL1 (0.63) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL20921292 | 0.75 | L3MBTL1 (0.63) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL7399518 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL3563788 | 0.69 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL9684696 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL9683619 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL9683704 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL13588569 | 0.68 | MAPT (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT |
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-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | disclosed |