Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 3/20 | 0.67 |
| ▸ | CDK2 | P24941 | 3/20 | 0.67 |
| ▸ | PAK4 | O96013 | 1/20 | 0.45 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 5/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12784663 | 0.91 | CCNA2 (0.65) | CCNA2CDK2PAK4IGF1RAURKA | |
| SCHEMBL12784484 | 0.85 | CCNA2 (0.74) | CCNA2CDK2IGF1R | |
| SCHEMBL16371678 | 0.85 | CCNA2 (0.77) | CCNA2CDK2IGF1R | |
| SCHEMBL12784546 | 0.84 | CCNA2 (0.49) | CCNA2CDK2IGF1RAURKA | |
| SCHEMBL12784552 | 0.81 | CCNA2 (0.70) | CCNA2CDK2IGF1R | |
| SCHEMBL12784544 | 0.81 | CCNA2 (0.70) | CCNA2CDK2IGF1R | |
| SCHEMBL1165115 | 0.81 | CCNA2 (1.00) | CCNA2CDK2PAK4PAK1 | |
| SCHEMBL12784570 | 0.77 | CCNA2 (0.47) | CCNA2CDK2IGF1RAURKA | |
| SCHEMBL12784508 | 0.77 | CCNA2 (0.72) | CCNA2CDK2PAK4PAK1IGF1R | |
| SCHEMBL12784489 | 0.76 | CCNA2 (0.74) | CCNA2CDK2IGF1RNTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | WO | disclosed |