Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 9/20 | 0.37 |
| ▸ | CCND1 | P24385 | 9/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 9/20 | 0.37 |
| ▸ | CDK2 | P24941 | 9/20 | 0.37 |
| ▸ | CDK1 | P06493 | 5/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.34 |
| ▸ | CDK9 | P50750 | 5/20 | 0.34 |
| ▸ | CCND3 | P30281 | 4/20 | 0.34 |
| ▸ | CDK7 | P50613 | 4/20 | 0.34 |
| ▸ | CCNH | P51946 | 4/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.34 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.32 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 2/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13638422 | 0.90 | CDK9 (0.40) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL4481557 | 0.88 | CDK4 (0.38) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638421 | 0.80 | DGAT1 (0.44) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL14612785 | 0.79 | IKBKB (0.37) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638454 | 0.79 | CDK4 (0.36) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL3470774 | 0.78 | CDK9 (0.40) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638286 | 0.77 | ROCK2 (0.35) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638420 | 0.77 | KDM4E (0.38) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638579 | 0.77 | SRC (0.35) | CDK4CCND1CCNA2CDK2CDK1 | |
| SCHEMBL13638669 | 0.77 | CDK2 (0.36) | CDK4CCND1CCNA2CDK2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |