Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 3/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632161 | 0.73 | CDK1 (0.59) | ROCK1PIM1CCNT1CDK1CCNB1 | |
| SCHEMBL1633147 | 0.68 | CDK1 (0.53) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1041168 | 0.66 | PLAU (0.55) | KDM4EALOX12PLAUNCF1PIM1 | |
| SCHEMBL3531193 | 0.65 | KDM4E (0.53) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL13313248 | 0.64 | KDM4E (0.47) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL3246319 | 0.63 | KDM4E (0.46) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL3243440 | 0.62 | PIM1 (0.49) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL13313228 | 0.62 | CYP1A2 (0.46) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL3246711 | 0.62 | PIM1 (0.56) | KDM4EALOX12LMNAPLAUNCF1 | |
| SCHEMBL27640664 | 0.62 | PLAU (0.44) | KDM4EALOX12LMNAPLAUNCF1 |
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-2004615-A2 | QUINAZOLINES FOR PDK1 INHIBITION | Novartis AG (CH) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007117607-A2 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2007-10-18 | — | — | WO | disclosed |