Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24016989 | 1.00 | CYP2C19 (0.52) | CYP2C19CYP3A4CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL24017143 | 0.91 | ALDH1A1 (0.56) | CYP2C19CYP3A4CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL31391931 | 0.86 | CYP3A4 (0.40) | CYP2C19CYP3A4CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL15989515 | 0.84 | SLC6A2 (0.49) | CYP2C19CYP3A4CYP1A2ALDH1A1SLC6A2 | |
| SCHEMBL19598151 | 0.84 | SLC6A2 (0.49) | CYP2C19CYP3A4CYP1A2ALDH1A1SLC6A2 | |
| SCHEMBL15989866 | 0.84 | SLC6A2 (0.49) | CYP2C19CYP3A4CYP1A2ALDH1A1SLC6A2 | |
| SCHEMBL10087237 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8284221 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL178498 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL24017005 | 0.76 | CYP3A4 (0.54) | CYP2C19CYP3A4ALDH1A1SMN1; SMN2 |
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 |