Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.63 |
| ▸ | CCNB1 | P14635 | 16/20 | 0.63 |
| ▸ | CCNA2 | P20248 | 15/20 | 0.63 |
| ▸ | CDK2 | P24941 | 15/20 | 0.63 |
| ▸ | CCNA1 | P78396 | 15/20 | 0.63 |
| ▸ | MGMT | P16455 | 7/20 | 0.63 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618497 | 0.80 | CDK1 (0.44) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8830293 | 0.78 | CDK1 (0.60) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL12227596 | 0.78 | CDK1 (0.42) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL7983290 | 0.77 | CDK1 (1.00) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| Methylguanine SCHEMBL29968306 | 0.77 | CDK1 (0.41) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| Methylguanine SCHEMBL1336757 | 0.77 | CDK1 (0.41) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL880169 | 0.77 | CDK1 (0.61) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8537496 | 0.77 | CDK1 (0.44) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL2939763 | 0.77 | MGMT (0.45) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6925964 | 0.75 | CDK1 (0.43) | CDK1CCNB1CCNA2CDK2CCNA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6303618-B1 | ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2001-10-16 | — | — | US | disclosed |