Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 13/20 | 0.49 |
| ▸ | CDK4 | P11802 | 12/20 | 0.49 |
| ▸ | CDK1 | P06493 | 11/20 | 0.49 |
| ▸ | CDK9 | P50750 | 10/20 | 0.49 |
| ▸ | CCND1 | P24385 | 10/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.49 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.49 |
| ▸ | CDK8 | P49336 | 4/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.49 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.42 |
| ▸ | CCND3 | P30281 | 3/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.34 |
| ▸ | GSK3A | P49840 | 4/20 | 0.34 |
| ▸ | CDK7 | P50613 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12491417 | 0.86 | CDK4 (0.46) | CDK2CDK4CDK1CDK9CCND1 | |
| SCHEMBL2446327 | 0.85 | CDK4 (0.68) | CDK2CDK4CDK1CDK9CCND1 | |
| SCHEMBL30688746 | 0.85 | CDK4 (0.68) | CDK2CDK4CDK1CDK9CCND1 | |
| Hydrochloric Acid SCHEMBL4015958 | 0.84 | CDK4 (0.67) | CDK2CDK4CDK1CDK9CCND1 | |
| Hydrochloric Acid SCHEMBL31632765 | 0.84 | CDK4 (0.67) | CDK2CDK4CDK1CDK9CCND1 | |
| Hydrochloric Acid SCHEMBL30688749 | 0.84 | CDK4 (0.67) | CDK2CDK4CDK1CDK9CCND1 | |
| SCHEMBL6126396 | 0.82 | CDK2 (0.74) | CDK2CDK4CDK1CDK9CCND1 | |
| Hydrochloric Acid SCHEMBL6126241 | 0.81 | CDK2 (0.73) | CDK2CDK4CDK1CDK9CCND1 | |
| SCHEMBL23682929 | 0.75 | CDK4 (0.71) | CDK2CDK4CDK1CDK9CCND1 | |
| SCHEMBL6126561 | 0.71 | CDK2 (0.59) | CDK2CDK4CDK1CDK9CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2640380-A1 | PHARMACEUTICAL COMBINATION OF PACLITAXEL AND A CDK INHIBITOR | Piramal Enterprises Limited (IN) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012069972-A1 | A PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BREAST CANCER | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012066508-A1 | PHARMACEUTICAL COMBINATION OF PACLITAXEL AND A CDK INHIBITOR | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-05-24 | — | — | WO | disclosed |