Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.42 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | STK17B | O94768 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL38661718 | 0.85 | AAK1 (0.47) | EGFRAURKBAAK1WDR5IDO1 | |
| SCHEMBL17132206 | 0.85 | AAK1 (0.47) | EGFRAURKBAAK1WDR5IDO1 | |
| SCHEMBL15243333 | 0.85 | ALDH1A1 (0.44) | EGFRAURKBAAK1WDR5IDO1 | |
| SCHEMBL3571997 | 0.84 | CA12 (0.41) | AAK1CA1CA2 | |
| SCHEMBL7955810 | 0.82 | AAK1 (0.45) | EGFRAURKBAAK1SUV39H2CA1 | |
| SCHEMBL38663435 | 0.81 | AAK1 (0.48) | AAK1WDR5 | |
| SCHEMBL30313179 | 0.81 | ALDH1A1 (0.45) | AAK1WDR5 | |
| SCHEMBL23731848 | 0.80 | AAK1 (0.59) | EGFRAURKBAAK1RAF1KDR | |
| SCHEMBL22012941 | 0.80 | AAK1 (0.64) | EGFRAURKBAAK1RAF1KDR | |
| SCHEMBL38661021 | 0.80 | TSHR (0.45) | EGFRAURKBSUV39H2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106458923-A | Novel heterocyclic compound | 株式会社大熊制药 | 2017-02-22 | — | — | CN | disclosed |