Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | 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 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23959422 | 0.85 | CASP1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959014 | 0.85 | CASP1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959108 | 0.83 | CASP1 (0.39) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959081 | 0.83 | CASP1 (0.39) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959073 | 0.78 | ALDH1A1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959063 | 0.78 | ALDH1A1 (0.38) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL31559322 | 0.74 | ALDH1A1 (0.41) | CASP1BCHECDK1CCNB2CCNB1 | |
| SCHEMBL23958999 | 0.74 | PDE4A (0.37) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959140 | 0.72 | PDE4A (0.36) | CASP1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23959115 | 0.72 | 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 |