Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959025 | 0.90 | BCHE (0.41) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL13536604 | 0.88 | ALDH1A1 (0.40) | ALDH1A1MAOBUSP2BCHECYP1A2 | |
| SCHEMBL31499354 | 0.88 | ALDH1A1 (0.40) | ALDH1A1MAOBUSP2BCHECYP1A2 | |
| SCHEMBL23959042 | 0.87 | BCHE (0.41) | ALDH1A1MAPTMEN1KMT2ABCHE | |
| SCHEMBL23959036 | 0.86 | BCHE (0.49) | ALDH1A1MAPTMEN1KMT2ABCHE | |
| SCHEMBL23959420 | 0.85 | BCHE (0.40) | MEN1KMT2ABCHETSHRGAA | |
| SCHEMBL23959057 | 0.85 | CDK1 (0.46) | ALDH1A1MEN1KMT2ABCHETSHR | |
| SCHEMBL23959076 | 0.85 | BCHE (0.40) | MEN1KMT2ABCHETSHRGAA | |
| SCHEMBL23959005 | 0.85 | BCHE (0.40) | MAPTMEN1KMT2ABCHETSHR | |
| SCHEMBL31499333 | 0.81 | BCHE (0.44) | ALDH1A1MAPTHPGDMAOBBCHE |
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 |