Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017155 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1253481 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1252229 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL178500 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL31085545 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL5848465 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL5848438 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1898848 | 0.79 | SLC6A4 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL21259248 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL11787819 | 0.76 | SLC6A4 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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-2021223156-A1 | DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-11-11 | — | — | WO | disclosed |