Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | CLK2 | P49760 | 2/20 | 0.41 |
| ▸ | CLK3 | P49761 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765576 | 0.86 | CHKA (0.41) | TNIKJAK2JAK3CCNT1CDK4 | |
| SCHEMBL2787956 | 0.84 | EGFR (0.52) | NQO1EGFRTNIKDYRK3CLK1 | |
| SCHEMBL2787952 | 0.84 | EGFR (0.52) | NQO1EGFRTNIKDYRK3CLK1 | |
| SCHEMBL4774422 | 0.77 | CYP2C9 (0.36) | L3MBTL1KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL4765880 | 0.72 | ROCK1 (0.43) | JAK3L3MBTL1CCNT1CDK9CDK6 | |
| SCHEMBL4770645 | 0.72 | NEK2 (0.39) | CCNT1CDK9MAPT | |
| SCHEMBL2788132 | 0.71 | CHKA (0.51) | EGFRDYRK3CLK1CLK3GSK3B | |
| SCHEMBL2788133 | 0.71 | CHKA (0.51) | EGFRDYRK3CLK1CLK3GSK3B | |
| SCHEMBL4768194 | 0.71 | BACE1 (0.36) | L3MBTL1KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL4774451 | 0.70 | ALOX5 (0.42) | L3MBTL1KDM4ERAB9AGFERALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1567112-B1 | THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS | SMITHKLINE BEECHAM CORP (US) | 2008-10-15 | — | — | EP | claimed |