Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 9/20 | 0.43 |
| ▸ | CDK1 | P06493 | 5/20 | 0.38 |
| ▸ | CDK4 | P11802 | 5/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 5/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.38 |
| ▸ | CCND1 | P24385 | 4/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CCND3 | P30281 | 2/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13633638 | 0.87 | IKBKB (0.43) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL3477899 | 0.87 | IKBKB (0.45) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL4489766 | 0.87 | IKBKB (0.45) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL3472713 | 0.81 | IKBKB (0.41) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL3477574 | 0.81 | IKBKB (0.41) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL3478250 | 0.80 | IKBKB (0.45) | IKBKBMAPK8ROCK2KCNH2KDM4E | |
| SCHEMBL13633601 | 0.80 | IKBKB (0.39) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL3471613 | 0.79 | IKBKB (0.49) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL4477031 | 0.79 | IKBKB (0.40) | IKBKBCDK1CDK4CCNA2CDK2 | |
| SCHEMBL4482129 | 0.79 | SYK (0.46) | IKBKBMAPK8ROCK2GAA |
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-1615898-B1 | 2-Aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2014-10-29 | — | — | EP | disclosed |