Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 10/20 | 0.40 |
| ▸ | CDK4 | P11802 | 10/20 | 0.40 |
| ▸ | CCND1 | P24385 | 10/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.40 |
| ▸ | CDK7 | P50613 | 9/20 | 0.40 |
| ▸ | CDK2 | P24941 | 9/20 | 0.40 |
| ▸ | CCND3 | P30281 | 8/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 8/20 | 0.40 |
| ▸ | CCNH | P51946 | 7/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.40 |
| ▸ | CDK1 | P06493 | 6/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.40 |
| ▸ | IKBKB | O14920 | 5/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 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 | |
|---|---|---|---|---|
| SCHEMBL13638423 | 0.90 | CDK4 (0.37) | CDK9CDK4CCND1CCNT1CDK7 | |
| SCHEMBL3470774 | 0.88 | CDK9 (0.40) | CDK9CDK4CCND1CCNT1CDK7 | |
| SCHEMBL13638421 | 0.85 | DGAT1 (0.44) | CDK9CDK4CCND1CCNT1CDK7 | |
| SCHEMBL13638286 | 0.83 | ROCK2 (0.35) | CDK4CCND1CDK2CCND3CDK6 | |
| SCHEMBL14612785 | 0.82 | IKBKB (0.37) | CDK4CCND1CDK7CDK2CCND3 | |
| SCHEMBL13638454 | 0.82 | CDK4 (0.36) | CDK9CDK4CCND1CCNT1CDK7 | |
| SCHEMBL13638302 | 0.81 | IKBKB (0.46) | CDK4CCND1CDK2CCNA2CDK1 | |
| SCHEMBL14612849 | 0.81 | IKBKB (0.35) | CDK4CCND1CDK2CCND3CDK6 | |
| SCHEMBL13638501 | 0.81 | HDAC8 (0.41) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL13638420 | 0.81 | KDM4E (0.38) | CDK4CCND1CDK2CCND3CDK6 |
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 |