Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 12/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4415084 | 0.91 | MAPK10 (0.36) | BRAFTBK1CCNT1CCNE1CDK2 | |
| SCHEMBL4412920 | 0.91 | MAPK10 (0.36) | BRAFTBK1CCNT1CCNE1CDK2 | |
| SCHEMBL4413555 | 0.91 | BRAF (0.38) | BRAFTBK1KCNH3CCNT1CCNE1 | |
| SCHEMBL4418433 | 0.89 | CDK2 (0.47) | BRAFCCNT1CCNE1CDK2CDK9 | |
| SCHEMBL4410707 | 0.89 | TBK1 (0.38) | BRAFTBK1CCNT1CCNE1CDK2 | |
| SCHEMBL4414542 | 0.89 | KCNH3 (0.39) | BRAFTBK1KCNH3CCNT1CCNE1 | |
| SCHEMBL4411774 | 0.89 | MAPK10 (0.36) | TBK1CCNT1CCNE1CDK2CDK9 | |
| SCHEMBL4410855 | 0.88 | CCNT1 (0.42) | BRAFTBK1CCNT1CCNE1CDK2 | |
| SCHEMBL4413438 | 0.88 | MAPK10 (0.34) | BRAFTBK1CCNT1CCNE1CDK2 | |
| SCHEMBL4413552 | 0.86 | MEN1 (0.40) | TBK1AURKA |
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-1615921-B1 | PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | HOFFMANN LA ROCHE (CH) | 2009-03-18 | — | — | EP | claimed |