Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 4/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.31 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.31 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959127 | 0.92 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959043 | 0.90 | PDE4A (0.38) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959054 | 0.90 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959128 | 0.90 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23958999 | 0.85 | PDE4A (0.37) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959014 | 0.85 | CASP1 (0.38) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959422 | 0.85 | CASP1 (0.38) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959047 | 0.83 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959063 | 0.83 | ALDH1A1 (0.38) | PDE4APDE4BPDE4CPDE4DBCHE | |
| SCHEMBL23959074 | 0.83 | CASP1 (0.38) | PDE4APDE4BPDE4CPDE4DBCHE |
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 |