Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.43 |
| ▸ | CHUK | O15111 | 7/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300483 | 0.86 | IKBKB (0.43) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL13392087 | 0.79 | IKBKB (0.46) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL3302160 | 0.79 | IKBKB (0.47) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL3302168 | 0.74 | IKBKB (0.44) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL3303279 | 0.74 | IKBKB (0.51) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL14020191 | 0.72 | CDK4 (0.40) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL3306513 | 0.72 | IKBKB (0.51) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL3299203 | 0.72 | IKBKB (0.51) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL4440432 | 0.72 | IKBKB (0.38) | IKBKBCHUKCDK4CCNE1CDK2 | |
| SCHEMBL14020183 | 0.71 | HTR7 (0.43) | IKBKBCHUKCDK4CCNE1CDK2 |
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 |