Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 7/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CCNH | P51946 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 2/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.36 |
| ▸ | PLK2 | Q9NYY3 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4413502 | 0.92 | CDK1 (0.36) | IKBKBSYKBRAFCDK2CDK1 | |
| SCHEMBL4413555 | 0.88 | BRAF (0.38) | SYKBRAFCDK2CDK4CCNE1 | |
| SCHEMBL4412949 | 0.84 | IKBKB (0.45) | IKBKBSYKCDK2CDK1CDK4 | |
| SCHEMBL4414542 | 0.83 | KCNH3 (0.39) | BRAFCDK2CCNE1CCNT1CDK9 | |
| SCHEMBL4411774 | 0.82 | MAPK10 (0.36) | IKBKBSYKCDK2CDK1CDK4 | |
| SCHEMBL4422236 | 0.81 | CDK2 (0.33) | BRAFCDK2CDK1CDK4CCNE1 | |
| SCHEMBL4412920 | 0.80 | MAPK10 (0.36) | BRAFCDK2CDK4CCNE1CCNT1 | |
| SCHEMBL4415084 | 0.80 | MAPK10 (0.36) | BRAFCDK2CDK4CCNE1CCNT1 | |
| SCHEMBL4416830 | 0.79 | BRAF (0.44) | BRAFCDK2CCNE1CCNT1CDK9 | |
| SCHEMBL4410855 | 0.79 | CCNT1 (0.42) | BRAFCDK2CCNE1CCNT1CCNA2 |
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 |