Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | JAK2 | O60674 | 7/20 | 0.47 |
| ▸ | JAK1 | P23458 | 5/20 | 0.47 |
| ▸ | JAK3 | P52333 | 6/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2227348 | 0.85 | JAK2 (0.45) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL2226690 | 0.79 | TNNI3K (0.64) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2227374 | 0.78 | CDK1 (0.51) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2227638 | 0.78 | TNNI3K (0.57) | TNNI3KEGFRCA12CA1CA2 | |
| SCHEMBL2227311 | 0.78 | TNNI3K (0.61) | TNNI3KEGFRCA1CA2CA9 | |
| SCHEMBL2227068 | 0.76 | CDK1 (0.48) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2225574 | 0.75 | TNNI3K (0.59) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL12517487 | 0.75 | TNNI3K (0.84) | TNNI3K | |
| SCHEMBL2226058 | 0.75 | TNNI3K (0.49) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2226278 | 0.75 | TNNI3K (0.52) | TNNI3KEGFRCDK1CCNB1CCNA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2523559-A1 | COMPOUNDS AND METHODS | GlaxoSmithKline LLC (US) | 2012-11-21 | — | — | EP | claimed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | claimed |
| EP-2523559-A1 | COMPOUNDS AND METHODS | GlaxoSmithKline LLC (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |