Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.39 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.39 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959036 | 0.86 | BCHE (0.49) | BCHEHSD11B1AADATALDH1A1GAA | |
| SCHEMBL18025768 | 0.83 | BCHE (0.49) | BCHECDK1KDM1A | |
| SCHEMBL31499333 | 0.83 | BCHE (0.44) | BCHEALDH1A1HPGDCDK1KDM1A | |
| SCHEMBL23959040 | 0.82 | BCHE (0.46) | BCHEAADATKDM4ECDK1KDM1A | |
| SCHEMBL23958989 | 0.82 | BCHE (0.46) | BCHECASP1CASP7CACNB4CACNA1A | |
| SCHEMBL23959025 | 0.82 | BCHE (0.41) | BCHEAADATALDH1A1HPGDCDK1 | |
| SCHEMBL31499320 | 0.81 | BCHE (0.45) | BCHEALDH1A1CDK1KDM1A | |
| SCHEMBL23959064 | 0.81 | BCHE (0.44) | BCHEKDM4EALDH1A1GAAHPGD | |
| SCHEMBL31499326 | 0.80 | ABCB1 (0.45) | BCHEHSD11B1KDM4EALDH1A1GLA | |
| SCHEMBL23959123 | 0.80 | BCHE (0.43) | BCHEGAACDK1KDM1A |
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 |