Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL24017121 | 1.00 | HTT (0.44) | HTTBRD4AOC3MLKLALDH1A1 | |
| SCHEMBL24017111 | 0.87 | MEN1 (0.45) | HTTBRD4AOC3MLKLALDH1A1 | |
| SCHEMBL24017018 | 0.87 | MEN1 (0.45) | HTTBRD4AOC3MLKLALDH1A1 | |
| SCHEMBL24016997 | 0.86 | MEN1 (0.45) | HTTBRD4AOC3MLKLALDH1A1 | |
| SCHEMBL24016985 | 0.82 | AOC3 (0.42) | AOC3ALDH1A1LMNAACP3SLC6A2 | |
| SCHEMBL24017070 | 0.82 | AOC3 (0.42) | AOC3ALDH1A1LMNAACP3SLC6A2 | |
| SCHEMBL28621306 | 0.75 | AOC3 (0.39) | HTTAOC3ALDH1A1KMT2AMEN1 | |
| SCHEMBL24017017 | 0.74 | TACR1 (0.41) | AOC3KMT2AMEN1LMNASLC6A2 | |
| SCHEMBL24017072 | 0.74 | TACR1 (0.41) | AOC3KMT2AMEN1LMNASLC6A2 | |
| SCHEMBL416186 | 0.72 | CYP2D6 (0.41) | AOC3ALDH1A1KMT2AMEN1LMNA |
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 |