Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 9/20 | 0.46 |
| ▸ | BRAF | P15056 | 6/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ERBB3 | P21860 | 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 | |
|---|---|---|---|---|
| SCHEMBL2227638 | 0.88 | TNNI3K (0.57) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2226261 | 0.85 | TNNI3K (0.58) | TNNI3KBRAFEGFRMAPK10CDK1 | |
| SCHEMBL2225756 | 0.85 | BRAF (0.62) | TNNI3KBRAFEGFRCA1CA2 | |
| SCHEMBL2227255 | 0.84 | SLC6A4 (0.40) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226032 | 0.83 | BRAF (0.60) | TNNI3KBRAFEGFRMAPK10CDK1 | |
| SCHEMBL2224234 | 0.82 | TNNI3K (0.43) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2226860 | 0.81 | TNNI3K (0.45) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2227241 | 0.81 | CDK1 (0.46) | TNNI3KEGFRCDK1CCNB1CCNA2 | |
| SCHEMBL2227178 | 0.80 | TNNI3K (0.61) | TNNI3KBRAFEGFRMAPK10CDK1 | |
| SCHEMBL2225876 | 0.80 | BRAF (0.63) | TNNI3KBRAFEGFRMAPK10CDK1 |
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 |