Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27427900 | 0.89 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL11381619 | 0.85 | MAPT (0.32) | HPGDHSD17B10 | |
| SCHEMBL28114549 | 0.85 | ALDH1A1 (0.30) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27494214 | 0.84 | — | — | |
| SCHEMBL11035480 | 0.82 | ALDH1A1 (0.36) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28999984 | 0.81 | — | — | |
| SCHEMBL7797191 | 0.79 | MEN1 (0.35) | ALDH1A1 | |
| SCHEMBL28670717 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL4785452 | 0.77 | — | — | |
| SCHEMBL2361101 | 0.77 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-117467228-A | Multiple-responsiveness liquid crystal elastomer composite membrane and preparation method and application thereof | 北京大学 | 2024-01-30 | — | — | CN | disclosed |