Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 5/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL25197753 | 1.00 | IDH2 (0.36) | IDH2ATMMAPK14CYP1A2CYP2D6 | |
| SCHEMBL26162618 | 0.85 | MAPT (0.39) | MAPK14CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL26162788 | 0.83 | GPBAR1 (0.35) | IDH2MAPK14AAK1GPBAR1 | |
| SCHEMBL25199193 | 0.83 | IDH2 (0.33) | IDH2MAPK14CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26162646 | 0.81 | MAPK14 (0.34) | MAPK14CYP1A2CYP2D6CYP2C19RECQL | |
| SCHEMBL26162781 | 0.81 | MAPK14 (0.35) | IDH2MAPK14AAK1SOS1GPBAR1 | |
| SCHEMBL27168532 | 0.81 | MAPK14 (0.35) | IDH2MAPK14AAK1SOS1GPBAR1 | |
| SCHEMBL25217229 | 0.80 | AAK1 (0.39) | IDH2MAPK14AAK1SOS1SCN9A | |
| SCHEMBL29517013 | 0.80 | AAK1 (0.39) | IDH2MAPK14AAK1SOS1SCN9A | |
| SCHEMBL29162256 | 0.79 | MAPK14 (0.33) | MAPK14CYP1A2CYP2D6CYP2C19RECQL |
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-2022025174-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF | 富士フイルム株式会社 | 2022-02-03 | — | — | WO | disclosed |