Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL23959044 | 0.91 | CDK1 (0.46) | CDK1BCHEBACE1TSHRGAA | |
| SCHEMBL23959042 | 0.88 | BCHE (0.41) | CDK1BCHETSHRALDH1A1MEN1 | |
| SCHEMBL23959036 | 0.87 | BCHE (0.49) | CDK1BCHETSHRALDH1A1MEN1 | |
| SCHEMBL23959076 | 0.86 | BCHE (0.40) | CDK1BCHETSHRMEN1KMT2A | |
| SCHEMBL23959420 | 0.86 | BCHE (0.40) | CDK1BCHETSHRMEN1KMT2A | |
| SCHEMBL23959005 | 0.86 | BCHE (0.40) | CDK1BCHETSHRMEN1KMT2A | |
| SCHEMBL23959142 | 0.85 | ALDH1A1 (0.42) | CDK1BCHETSHRALDH1A1MEN1 | |
| SCHEMBL30847702 | 0.81 | CDK1 (0.45) | CDK1BCHEBACE1TSHRALDH1A1 | |
| SCHEMBL25994275 | 0.81 | CDK1 (0.45) | CDK1BCHEBACE1TSHRALDH1A1 | |
| SCHEMBL23959123 | 0.81 | BCHE (0.43) | CDK1BCHETSHRMEN1KMT2A |
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 |