Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.50 |
| ▸ | CDK2 | P24941 | 7/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.41 |
| ▸ | CFTR | P13569 | 2/20 | 0.40 |
| ▸ | MGMT | P16455 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 5/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | PDE1A | P54750 | 2/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6268093 | 0.86 | ADORA2A (0.42) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6265538 | 0.86 | MGMT (0.47) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6266783 | 0.84 | MGMT (0.49) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6265343 | 0.82 | PDE4A (0.55) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL5504400 | 0.80 | ADORA2A (0.59) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL5048181 | 0.80 | PNP (0.45) | CDK2ADORA2AADORA2BMGMTPDE4A | |
| SCHEMBL6271387 | 0.80 | CDK1 (0.37) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL874737 | 0.78 | ADORA2A (0.56) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL28071828 | 0.78 | PNP (0.45) | ADORA2AADORA2BMGMTPDE4APDE4B | |
| SCHEMBL6271705 | 0.78 | CDK1 (0.52) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017394-B1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER REC TECH LTD (GB) | 2005-12-07 | — | — | EP | disclosed |
| 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 |
| WO-1999002162-A9 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RES CAMPAIGN TECH (GB) | 1999-07-29 | — | — | WO | disclosed |