Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 14/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 5/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 4/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2227374 | 0.92 | CDK1 (0.51) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| Trifluoroacetic Acid SCHEMBL2226717 | 0.85 | TNNI3K (0.47) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2225414 | 0.83 | CDK1 (0.46) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2227068 | 0.82 | CDK1 (0.48) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226261 | 0.81 | TNNI3K (0.58) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226542 | 0.80 | CCNA2 (0.48) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2225574 | 0.79 | TNNI3K (0.59) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2226380 | 0.79 | CCNA2 (0.47) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2228424 | 0.79 | TNNI3K (0.61) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2225463 | 0.79 | CDK1 (0.47) | TNNI3KCDK1CCNB1CCNA2CCNE1 |
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 2 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 | disclosed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |