Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.48 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 2/20 | 0.41 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.41 |
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.40 |
| ▸ | JAK1 | P23458 | 6/20 | 0.40 |
| ▸ | JAK2 | O60674 | 5/20 | 0.40 |
| ▸ | JAK3 | P52333 | 3/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL99868 | 0.79 | AURKB (0.59) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL18975782 | 0.77 | AURKB (0.56) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL21085376 | 0.76 | AURKB (0.63) | AURKBAURKAINCENPTPX2GRM4 | |
| Trifluoroacetic Acid SCHEMBL99616 | 0.73 | AURKB (0.51) | AURKBAURKAINCENPTPX2GRM4 | |
| Trifluoroacetic Acid SCHEMBL29540674 | 0.73 | AURKB (0.51) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL13774666 | 0.73 | AURKB (0.62) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL15389485 | 0.73 | AURKB (0.56) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL15389759 | 0.71 | AURKB (0.54) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL100576 | 0.71 | AURKB (0.62) | AURKBAURKAINCENPTPX2GRM4 | |
| SCHEMBL98741 | 0.70 | AURKA (0.55) | AURKBAURKAINCENPTPX2GRM4 |
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-2018019222-A1 | HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF | 张文燕 | 2018-02-01 | — | — | WO | disclosed |