Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 16/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 15/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 15/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 4/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL11299560 | 0.86 | CDK2 (0.44) | CDK2CCNA2CCNA1PAK1AURKA | |
| SCHEMBL13592001 | 0.86 | CDK2 (0.46) | CDK2CCNA2CCNA1AURKAPRKAB2 | |
| SCHEMBL11304047 | 0.70 | CCNA2 (0.50) | CDK2CCNA2CCNA1PAK1AURKA | |
| SCHEMBL11306472 | 0.68 | CDK2 (0.49) | CDK2CCNA2CCNA1PAK1AURKA | |
| SCHEMBL12330009 | 0.68 | CCNA2 (0.48) | CDK2CCNA2CCNA1PAK1AURKA | |
| SCHEMBL13591773 | 0.68 | CDK2 (0.46) | CDK2CCNA2CCNE1 | |
| SCHEMBL12330010 | 0.67 | CCNA2 (0.47) | CDK2CCNA2CCNA1PAK1AURKA | |
| SCHEMBL11292385 | 0.66 | IKBKB (0.38) | CDK2CCNA2CCNE1 | |
| SCHEMBL11294059 | 0.65 | IKBKB (0.37) | CDK2CCNA2CCNE1 | |
| SCHEMBL11300859 | 0.64 | PRKAB2 (0.40) | CDK2CCNA2CCNA1PAK1PRKAB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |