Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4821274 | 1.00 | ALOX5 (0.50) | ALOX5ALDH1A1CYP2A6KIF11CES1 | |
| SCHEMBL22367087 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP2A6KIF11RAB9ABRD4 | |
| SCHEMBL12571883 | 0.86 | ALOX5 (0.49) | ALOX5ALDH1A1CYP2A6KIF11CES1 | |
| SCHEMBL4547729 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP2A6KIF11BRD4KDM4E | |
| SCHEMBL30825159 | 0.84 | ALOX5 (0.38) | ALOX5ALDH1A1CYP2A6KIF11RAB9A | |
| SCHEMBL16381821 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP2A6KIF11BRD4KDM4E | |
| SCHEMBL30825196 | 0.82 | ALOX5 (0.36) | ALOX5ALDH1A1CYP2A6MEN1HPGD | |
| SCHEMBL12571878 | 0.81 | ALOX5 (0.47) | ALOX5ALDH1A1CYP2A6KIF11CES1 | |
| SCHEMBL30524232 | 0.81 | ALOX5 (0.47) | ALOX5ALDH1A1CYP2A6KIF11CES1 | |
| SCHEMBL669208 | 0.81 | ALOX5 (0.50) | ALOX5ALDH1A1CES1KDM4EMEN1 |
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-117603224-A | Anthracene-based photochromic compound containing sulfur-containing hetero spiro unit, and preparation method and application thereof | 东南大学 | 2024-02-27 | — | — | CN | disclosed |