Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL27920698 | 0.94 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17312043 | 0.92 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL4957328 | 0.78 | CA1 (0.73) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17101177 | 0.75 | GAA (0.44) | CA1CA2CA9ACHECES2 | |
| SCHEMBL17312049 | 0.75 | ALDH1A1 (0.48) | CA1CA2MAPK1MAPTKDM4E | |
| SCHEMBL27862358 | 0.75 | ALDH1A1 (0.45) | TDP1MAPK1MAPTNPC1GAA | |
| SCHEMBL17312045 | 0.73 | ACHE (0.44) | CA1CA2CA7CA9ACHE | |
| SCHEMBL21013230 | 0.73 | CA1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1542267 | 0.72 | MAPT (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1022162 | 0.72 | CA4 (0.39) | LTA4HMAPK1PDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114874244-A | Preparation method of arylboronic acid ester or alkyl boronate compound | 中国科学院兰州化学物理研究所 | 2022-08-09 | — | — | CN | disclosed |