Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 6/20 | 0.47 |
| ▸ | CDK1 | P06493 | 5/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 10/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9986382 | 0.91 | TNNI3K (0.42) | CDK2CDK1CCNB1CCNA2CCNB2 | |
| SCHEMBL9986144 | 0.87 | TNNI3K (0.41) | CDK2CDK1CCNB1CCNA2CCNB2 | |
| SCHEMBL9985709 | 0.82 | TNNI3K (0.45) | TNNI3K | |
| SCHEMBL9986569 | 0.81 | TNNI3K (0.45) | TNNI3K | |
| SCHEMBL9985780 | 0.81 | TNNI3K (0.43) | TNNI3K | |
| SCHEMBL9985668 | 0.78 | TNNI3K (0.44) | TNNI3K | |
| SCHEMBL9987082 | 0.78 | TNNI3K (0.43) | TNNI3K | |
| SCHEMBL9985735 | 0.78 | TNNI3K (0.46) | TNNI3K | |
| SCHEMBL9985716 | 0.78 | TNNI3K (0.56) | TNNI3K | |
| SCHEMBL9986214 | 0.78 | TNNI3K (0.50) | TNNI3K |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | disclosed |