Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | IDH2 | P48735 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | CBLB | Q13191 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25217229 | 1.00 | AAK1 (0.39) | AAK1IDH2PIK3CAMTORPDCD1 | |
| SCHEMBL27168545 | 0.90 | SCN9A (0.36) | AAK1IDH2PIK3CAMTORPDCD1 | |
| SCHEMBL26162619 | 0.83 | PDCD1 (0.38) | PIK3CAMTORPDCD1CD274MAPK14 | |
| SCHEMBL26162804 | 0.81 | AAK1 (0.38) | AAK1IDH2PIK3CAMTORKDM4E | |
| SCHEMBL26162797 | 0.81 | PIK3CA (0.38) | AAK1IDH2PIK3CAMTORDYRK1A | |
| SCHEMBL29517002 | 0.80 | IDH2 (0.36) | AAK1IDH2MAPK14SCN9ASOS1 | |
| SCHEMBL25197753 | 0.80 | IDH2 (0.36) | AAK1IDH2MAPK14SCN9ASOS1 | |
| SCHEMBL26162799 | 0.78 | AAK1 (0.37) | AAK1PDCD1CD274MAPK14CSNK1D | |
| SCHEMBL27168544 | 0.78 | AAK1 (0.37) | AAK1PDCD1CD274MAPK14CSNK1D | |
| SCHEMBL26162658 | 0.78 | PDCD1 (0.35) | PIK3CAMTORPDCD1CD274DYRK1A |
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 |