Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL18925496 | 0.89 | ACHE (0.56) | CYP3A4CYP2C19ACHETDP1CHRNA7 | |
| SCHEMBL24017143 | 0.89 | ALDH1A1 (0.56) | CYP3A4CYP2C19ACHETDP1CHRNA7 | |
| SCHEMBL24017006 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2C19ACHETDP1CHRNA7 | |
| SCHEMBL13722173 | 0.79 | KEAP1 (0.38) | CYP3A4CYP2C19ACHECHRNA7LMNA | |
| SCHEMBL24016989 | 0.76 | CYP2C19 (0.52) | CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL24016999 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2C19ACHEALDH1A1GAA | |
| SCHEMBL24016986 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2C19TDP1LMNATP53 | |
| SCHEMBL8285887 | 0.76 | ALDH1A1 (0.52) | ACHETDP1CHRNA7LMNAALDH1A1 | |
| SCHEMBL24017007 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2C19ACHEALDH1A1GAA | |
| SCHEMBL24017117 | 0.76 | CYP2C19 (0.52) | CYP3A4CYP2C19ALDH1A1SMN1; 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 |