Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT3 | Q9Y243 | 11/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | TEC | P42680 | 1/20 | 0.34 |
| ▸ | TXK | P42681 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4500550 | 0.87 | ALDH1A1 (0.41) | AKT3CDK1CDK4CCNB1CCNA2 | |
| SCHEMBL13638295 | 0.87 | AKT3 (0.38) | AKT3CDK1CDK4CCNB1CCNA2 | |
| SCHEMBL13638460 | 0.87 | AKT3 (0.35) | AKT3CDK1CDK4CCNB1CCNA2 | |
| SCHEMBL14612850 | 0.86 | AKT3 (0.37) | AKT3CDK1CDK4CCNB1CCNA2 | |
| SCHEMBL13638669 | 0.85 | CDK2 (0.36) | AKT3CDK1CDK4CCNB1CCNA2 | |
| SCHEMBL13638421 | 0.84 | DGAT1 (0.44) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL13638474 | 0.82 | AKT3 (0.50) | AKT3TECTXKBTKITK | |
| SCHEMBL13638473 | 0.81 | HDAC8 (0.34) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL13638671 | 0.81 | HDAC8 (0.38) | CCNKCDK12 | |
| SCHEMBL13638579 | 0.81 | SRC (0.35) | AKT3CDK1CDK4CCNB1CCNA2 |
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 |