Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 10/20 | 0.42 |
| ▸ | CHUK | O15111 | 9/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL14095872 | 0.91 | IKBKB (0.41) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL3295362 | 0.90 | IKBKB (0.44) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL13392092 | 0.90 | IKBKB (0.44) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL14095890 | 0.89 | IKBKB (0.46) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL3298041 | 0.84 | IKBKB (0.43) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL13392089 | 0.84 | IKBKB (0.43) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL13392293 | 0.84 | IKBKB (0.42) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL3300337 | 0.84 | IKBKB (0.42) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL13392369 | 0.83 | CDK4 (0.44) | IKBKBCHUKCCNE1CDK2CDK4 | |
| SCHEMBL3302095 | 0.82 | CDK2 (0.45) | IKBKBCHUKCCNE1CDK2CDK4 |
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-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |