Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.35 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959142 | 0.90 | ALDH1A1 (0.42) | BCHEMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL23959123 | 0.88 | BCHE (0.43) | BCHEMAPTKMT2AMEN1CDK1 | |
| SCHEMBL23959036 | 0.87 | BCHE (0.49) | BCHEMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL31499326 | 0.86 | ABCB1 (0.45) | BCHEALDH1A1HPGDACHECDK1 | |
| SCHEMBL23959072 | 0.86 | BCHE (0.41) | BCHEMAPTKMT2AMEN1CDK1 | |
| SCHEMBL31499333 | 0.84 | BCHE (0.44) | BCHEMAPTALDH1A1HPGDMAOB | |
| SCHEMBL31499363 | 0.82 | BCHE (0.40) | BCHEALDH1A1CDK1ABCB1ROCK2 | |
| SCHEMBL23959064 | 0.82 | BCHE (0.44) | BCHEMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL23959084 | 0.82 | BCHE (0.46) | BCHEALDH1A1HPGDCDK1AADAT | |
| SCHEMBL23959044 | 0.80 | CDK1 (0.46) | BCHECDK1ROCK2 |
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 |