Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK9 | P45984 | 3/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 4/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | TEC | P42680 | 1/20 | 0.32 |
| ▸ | TXK | P42681 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.32 |
| ▸ | CCND1 | P24385 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3477893 | 0.87 | KCNH2 (0.35) | MAPK9CCNKCDK12CDK4GSK3B | |
| SCHEMBL3477890 | 0.87 | KCNH2 (0.35) | MAPK9CCNKCDK12CDK4GSK3B | |
| SCHEMBL13638458 | 0.84 | IKBKB (0.36) | MAPK9CDK4CDK1CCNB1CCNA2 | |
| SCHEMBL13638667 | 0.81 | CDK1 (0.32) | MAPK9CDK4CDK1CCNB1CCNA2 | |
| SCHEMBL13638500 | 0.81 | IKBKB (0.33) | MAPK9CDK4CDK1CCNB1CCNA2 | |
| SCHEMBL13638557 | 0.81 | IKBKB (0.45) | MAPK9CDK4CDK1CCNB1CCNA2 | |
| SCHEMBL13638288 | 0.81 | CDK1 (0.32) | MAPK9CDK4CDK1CCNB1CCNA2 | |
| SCHEMBL14612785 | 0.80 | IKBKB (0.37) | MAPK9CDK4GSK3BITKCDK1 | |
| SCHEMBL13638454 | 0.80 | CDK4 (0.36) | MAPK9CDK4GSK3BCDK1CCNB1 | |
| SCHEMBL13638669 | 0.80 | CDK2 (0.36) | MAPK9CDK4GSK3BTECTXK |
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 |