Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.30 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ADAMTS5 | Q9UNA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23959074 | 0.83 | CASP1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959043 | 0.76 | PDE4A (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959073 | 0.72 | ALDH1A1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959063 | 0.72 | ALDH1A1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31526042 | 0.72 | CASP1 (0.40) | CASP1BCHEIDO1TDO2IDO2 | |
| SCHEMBL18025794 | 0.71 | CASP1 (0.42) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959079 | 0.69 | CASP1 (0.37) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30594659 | 0.69 | BCHE (0.44) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959115 | 0.68 | PDE4A (0.41) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959127 | 0.68 | PDE4A (0.41) | CASP1PDE4APDE4BPDE4CPDE4D |
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-2021212974-A1 | RACEMIC AND CHIRAL 3-(2,3-BUTADIENYL)OXYINDOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 复旦大学 (CN) | 2021-10-28 | — | — | WO | disclosed |