Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155117 | 0.85 | ALDH1A1 (0.39) | ALDH1A1LPLLIPGSOS1CYP2D6 | |
| SCHEMBL20155541 | 0.79 | ALDH1A1 (0.40) | ALDH1A1LPLLIPGSOS1CYP2D6 | |
| SCHEMBL20155498 | 0.78 | ALDH1A1 (0.36) | ALDH1A1LPLLIPGSOS1CYP2D6 | |
| SCHEMBL21904936 | 0.74 | JAK2 (0.34) | LPLLIPGCA1CA2CA9 | |
| SCHEMBL20155461 | 0.73 | TDO2 (0.38) | ALDH1A1LPLLIPGCA1CA2 | |
| SCHEMBL20155620 | 0.72 | EGFR (0.37) | CA1CA2CA9EGFR | |
| SCHEMBL20155663 | 0.72 | HSPB1 (0.36) | ALDH1A1LPLLIPG | |
| SCHEMBL23712487 | 0.72 | LPL (0.36) | LPLLIPGEGFR | |
| SCHEMBL17501095 | 0.72 | LPL (0.47) | ALDH1A1LPLLIPGCA1CA2 | |
| SCHEMBL29395578 | 0.72 | LPL (0.47) | ALDH1A1LPLLIPGCA1CA2 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |