Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 12/20 | 0.59 |
| ▸ | ABL1 | P00519 | 2/20 | 0.51 |
| ▸ | BCR | P11274 | 2/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2228424 | 0.90 | TNNI3K (0.61) | TNNI3KABL1BCRCDK1CCNB1 | |
| SCHEMBL2225100 | 0.90 | ABL1 (0.48) | TNNI3KABL1BCRCDK1CCNB1 | |
| SCHEMBL2227178 | 0.89 | TNNI3K (0.61) | TNNI3KABL1BCRCDK1CCNB1 | |
| SCHEMBL2224948 | 0.88 | TNNI3K (0.51) | TNNI3KABL1BCRCDK1CCNB1 | |
| SCHEMBL2227311 | 0.87 | TNNI3K (0.61) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226458 | 0.87 | TNNI3K (0.49) | TNNI3KABL1BCRCDK1CCNB1 | |
| SCHEMBL2226058 | 0.85 | TNNI3K (0.49) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226278 | 0.85 | TNNI3K (0.52) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2228373 | 0.84 | TNNI3K (0.48) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| Trifluoroacetic Acid SCHEMBL2226717 | 0.84 | TNNI3K (0.47) | TNNI3KABL1BCRCDK1CCNB1 |
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 |