Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 18/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 18/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 17/20 | 0.47 |
| ▸ | CDK2 | P24941 | 17/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 17/20 | 0.47 |
| ▸ | MGMT | P16455 | 7/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059232 | 0.99 | CDK1 (0.46) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL11130951 | 0.86 | SLC5A2 (0.43) | — | |
| SCHEMBL2941560 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL11133877 | 0.84 | SLC5A2 (0.44) | — | |
| SCHEMBL97672 | 0.83 | PDPK1 (0.46) | CDK1CDK2 | |
| SCHEMBL568026 | 0.83 | PDPK1 (0.46) | CDK1CDK2 | |
| Methylguanine SCHEMBL34851 | 0.83 | CDK1 (0.51) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| 2,6-Diaminopurine SCHEMBL6241914 | 0.78 | PDPK1 (0.59) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| 2,6-Diaminopurine SCHEMBL10774603 | 0.78 | PDPK1 (0.59) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| 2,6-Diaminopurine SCHEMBL2934952 | 0.78 | PDPK1 (0.59) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017394-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-07-12 | — | — | EP | claimed |
| WO-1999002162-A9 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RES CAMPAIGN TECH (GB) | 1999-07-29 | — | — | WO | claimed |
| WO-1999002162-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-01-21 | — | — | WO | claimed |
| EP-1017394-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999002162-A9 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RES CAMPAIGN TECH (GB) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999002162-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-01-21 | — | — | WO | disclosed |