Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.56 |
| ▸ | POLA1 | P09884 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 14/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 14/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 13/20 | 0.44 |
| ▸ | CDK2 | P24941 | 13/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 13/20 | 0.44 |
| ▸ | MGMT | P16455 | 4/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18702352 | 0.83 | CDK1 (0.42) | PDPK1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL30677864 | 0.80 | PDPK1 (0.58) | PDPK1POLA1CDK1CCNB1CCNA2 | |
| Methylguanine SCHEMBL231097 | 0.79 | CDK1 (0.69) | PDPK1CDK1CCNB1CCNA2CDK2 | |
| Methylguanine SCHEMBL29903462 | 0.79 | CDK1 (0.69) | PDPK1CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL1443987 | 0.79 | PDPK1 (0.56) | PDPK1POLA1CDK1CCNB1CCNA2 | |
| SCHEMBL9465644 | 0.76 | GDA (0.41) | PDPK1CDK1CCNB1CCNA2CDK2 | |
| Xanthine SCHEMBL9443819 | 0.75 | GDA (0.44) | PDPK1CDK2ADORA3 | |
| Xanthine SCHEMBL4966 | 0.75 | GDA (0.44) | PDPK1CDK2ADORA3 | |
| SCHEMBL4525142 | 0.75 | PDPK1 (0.51) | PDPK1POLA1CDK1CCNB1CCNA2 | |
| Xanthine SCHEMBL7044234 | 0.73 | GDA (0.42) | PDPK1CDK2ADORA3 |
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-0539487-A1 | ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES | BEECHAM GROUP PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| WO-1992001698-A1 | ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES | BEECHAM GROUP PLC (GB) | 1992-02-06 | — | — | WO | disclosed |