Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL14874619 | 0.90 | GRIN2B (0.45) | CCR6KCNH2GRIN2BACP1MAPT | |
| Methyl Alcohol SCHEMBL27964960 | 0.83 | CCR6 (0.47) | CCR6KCNH2GRIN2BMAPTEPHX2 | |
| SCHEMBL168125 | 0.81 | KIF11 (0.47) | CCR6KCNH2GRIN2BMAPTEPHX2 | |
| SCHEMBL27862141 | 0.81 | KIF11 (0.47) | CCR6KCNH2GRIN2BMAPTEPHX2 | |
| Boric Acid SCHEMBL28167570 | 0.80 | CA1 (0.36) | PDK1PDK2PDK3PDK4MAPT | |
| Methylamine SCHEMBL27709879 | 0.79 | KIF11 (0.47) | CCR6KCNH2GRIN2BACP1MAPT | |
| Methoxymethane SCHEMBL28114383 | 0.79 | CA4 (0.48) | CCR6KCNH2GRIN2BACP1MAPT | |
| Fluoride SCHEMBL28371495 | 0.79 | KIF11 (0.46) | CCR6KCNH2GRIN2BMAPTEPHX2 | |
| SCHEMBL29087324 | 0.79 | KIF11 (0.46) | CCR6KCNH2GRIN2BMAPTEPHX2 | |
| Ammonia Solution, Strong SCHEMBL2163079 | 0.79 | KIF11 (0.46) | CCR6KCNH2GRIN2BMAPTEPHX2 |
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-104045661-B | Method for preparation of aryl boronic acid and aryl borate by alcohol-promoted boronation reaction of aromatic amine | 陕西师范大学 | 2017-01-18 | — | — | CN | disclosed |