Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 5/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | HPD | P32754 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23403202 | 0.88 | ALDH1A1 (0.49) | ALDH1A1HPGDPDE4AADORA2APDE4B | |
| SCHEMBL23399062 | 0.83 | — | — | |
| SCHEMBL23402060 | 0.79 | ALDH1A1 (0.56) | ALDH1A1PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL23402421 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KDM4EPDE4AADORA2APDE4B | |
| SCHEMBL23402186 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL23398549 | 0.75 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL23400961 | 0.75 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL23398805 | 0.73 | SMN1; SMN2 (0.36) | ALDH1A1KDM4EHPGDHSD17B10CYP1A2 | |
| SCHEMBL23398390 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10PDE4A | |
| SCHEMBL23398383 | 0.72 | ALDH1A1 (0.49) | ALDH1A1 |
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-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |