Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.76 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.76 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.76 |
| ▸ | GSK3B | P49841 | 3/20 | 0.76 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.76 |
| ▸ | CA1 | P00915 | 14/20 | 0.51 |
| ▸ | CA2 | P00918 | 14/20 | 0.51 |
| ▸ | CA4 | P22748 | 14/20 | 0.51 |
| ▸ | CA6 | P23280 | 14/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6102492 | 0.86 | CDK1 (1.00) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL11406516 | 0.69 | CCNB2 (0.45) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL6012236 | 0.69 | CA1 (0.50) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL29370925 | 0.69 | CA1 (1.00) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL2298597 | 0.69 | CA1 (1.00) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL17963741 | 0.67 | CA1 (0.67) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL15264467 | 0.65 | GSK3B (0.75) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL12274879 | 0.65 | CDK2 (0.48) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL10026452 | 0.65 | HRH4 (0.40) | CDK1CCNB2CCNB1GSK3BCCNB3 | |
| SCHEMBL8523044 | 0.64 | CA1 (0.67) | CDK1CCNB2CCNB1GSK3BCCNB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6610684-B2 | Antiproliferative agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2003-08-26 | — | — | US | claimed |
| EP-1086105-B1 | FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS | US GOV HEALTH & HUMAN SERV (US) | 2006-03-01 | — | — | EP | disclosed |