Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 8/20 | 0.39 |
| ▸ | DKK1 | O94907 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.36 |
| ▸ | CDK2 | P24941 | 4/20 | 0.36 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | CDK7 | P50613 | 2/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.36 |
| ▸ | CCNH | P51946 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13638518 | 0.98 | IKBKB (0.38) | IKBKBDKK1GSK3BCCNA2CDK2 | |
| SCHEMBL14612876 | 0.87 | IKBKB (0.45) | IKBKBDKK1GSK3BCCNA2CDK2 | |
| SCHEMBL3472506 | 0.86 | IKBKB (0.43) | IKBKBDKK1GSK3BCCNA2CDK2 | |
| SCHEMBL4500382 | 0.84 | IKBKB (0.41) | IKBKBDKK1GSK3BCCNA2CDK2 | |
| SCHEMBL13638454 | 0.83 | CDK4 (0.36) | IKBKBGSK3BCCNA2CDK2CDK1 | |
| SCHEMBL14612785 | 0.83 | IKBKB (0.37) | IKBKBGSK3BCCNA2CDK2CDK1 | |
| SCHEMBL13638478 | 0.83 | IKBKB (0.48) | IKBKBCDK2MAPK8MAPK9MAPK10 | |
| SCHEMBL13638672 | 0.82 | CDK1 (0.40) | IKBKBGSK3BCCNA2CDK2CDK1 | |
| SCHEMBL13638295 | 0.82 | AKT3 (0.38) | GSK3BCCNA2CDK2CDK1CCNB1 | |
| SCHEMBL13638429 | 0.82 | IKBKB (0.34) | IKBKBGSK3BCCNA2CDK2CDK1 |
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 |