Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.43 |
| ▸ | CDK1 | P06493 | 5/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.43 |
| ▸ | CDK2 | P24941 | 5/20 | 0.43 |
| ▸ | CDK9 | P50750 | 5/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 5/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL1633540 | 0.92 | CA1 (0.47) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL12764646 | 0.91 | CA1 (0.46) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1633268 | 0.91 | CA1 (0.44) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1634288 | 0.89 | CA2 (0.44) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1633149 | 0.88 | CA1 (0.48) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1633466 | 0.84 | CA1 (0.48) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1633507 | 0.84 | NTRK1 (0.44) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1634792 | 0.84 | MAPK10 (0.43) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL13498265 | 0.83 | NTRK1 (0.45) | CA1CA2CA9CCNT1CDK1 | |
| SCHEMBL1633652 | 0.83 | NTRK1 (0.43) | CA1CA2CA9CCNT1CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |