Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24016992 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL24017144 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9906119 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2067587 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL29887508 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Hydrochloric Acid SCHEMBL14119362 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Hydrochloric Acid SCHEMBL30098262 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| Hydrochloric Acid SCHEMBL19951713 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL11817158 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL12601482 | 0.74 | GABRA1 (0.47) | ALDH1A1CYP2C19LMNA |
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 |