Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017072 | 1.00 | TACR1 (0.41) | TACR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2172547 | 0.80 | KCNA5 (0.46) | AOC3CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1868206 | 0.80 | KCNA5 (0.46) | AOC3CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL703021 | 0.80 | KCNA5 (0.46) | AOC3CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL416186 | 0.79 | CYP2D6 (0.41) | AOC3CYP3A4CYP2D6TSHRALOX12 | |
| SCHEMBL29220604 | 0.75 | KCNA5 (0.42) | AOC3SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL24017019 | 0.74 | HTT (0.44) | TACR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24017111 | 0.74 | MEN1 (0.45) | AOC3SLC6A2SLC6A4SLC6A3ALOX12 | |
| SCHEMBL24017121 | 0.74 | HTT (0.44) | TACR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24017018 | 0.74 | MEN1 (0.45) | AOC3SLC6A2SLC6A4SLC6A3ALOX12 |
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 |