Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 18/20 | 0.76 |
| ▸ | INSR | P06213 | 5/20 | 0.76 |
| ▸ | EGFR | P00533 | 2/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.76 |
| ▸ | PLK4 | O00444 | 1/20 | 0.76 |
| ▸ | BUB1B | O60566 | 1/20 | 0.76 |
| ▸ | JAK2 | O60674 | 1/20 | 0.76 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.76 |
| ▸ | ABL1 | P00519 | 1/20 | 0.76 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.76 |
| ▸ | LCK | P06239 | 1/20 | 0.76 |
| ▸ | NPM1 | P06748 | 1/20 | 0.76 |
| ▸ | FES | P07332 | 1/20 | 0.76 |
| ▸ | LYN | P07948 | 1/20 | 0.76 |
| ▸ | RET | P07949 | 1/20 | 0.76 |
| ▸ | IGF1R | P08069 | 1/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.76 |
| ▸ | MET | P08581 | 1/20 | 0.76 |
| ▸ | ROS1 | P08922 | 1/20 | 0.76 |
| ▸ | FGR | P09769 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL15977109 | 0.93 | ALK (0.80) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL28502216 | 0.90 | ALK (0.74) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL28516423 | 0.88 | ALK (0.71) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL21169823 | 0.88 | ALK (0.86) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL18627583 | 0.88 | ALK (0.73) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL28335218 | 0.88 | ALK (0.72) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL16370766 | 0.88 | ALK (0.73) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL23637757 | 0.87 | ALK (0.87) | ALKINSREGFRKCNH2PLK4 | |
| Ceritinib SCHEMBL29349781 | 0.87 | ALK (1.00) | ALKINSREGFRKCNH2PLK4 | |
| SCHEMBL19372641 | 0.87 | ALK (0.71) | ALKINSREGFRKCNH2PLK4 |
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-110563656-A | Pyrimidine small molecule compound and application thereof in preparing anti-mycobacteria drugs | 四川大学 | 2019-12-13 | — | — | CN | claimed |