Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.78 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CDK2 | P24941 | 6/20 | 0.53 |
| ▸ | CDK1 | P06493 | 5/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.53 |
| ▸ | CDK7 | P50613 | 3/20 | 0.51 |
| ▸ | CDK9 | P50750 | 3/20 | 0.51 |
| ▸ | KDR | P35968 | 3/20 | 0.51 |
| ▸ | CDK4 | P11802 | 2/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.51 |
| ▸ | CCNH | P51946 | 2/20 | 0.51 |
| ▸ | CCND1 | P24385 | 1/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4063385 | 0.87 | CA2 (1.00) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL13648578 | 0.87 | CA2 (0.79) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL4019284 | 0.86 | CA2 (0.78) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL4058941 | 0.86 | CA2 (0.78) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL4018940 | 0.86 | CA2 (0.78) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL4026166 | 0.81 | CDK1 (0.51) | CA2CDK2CDK1CCNB1CCNE1 | |
| SCHEMBL13442815 | 0.79 | CDK2 (0.59) | CA2CDK2CDK1CCNB1CCNE1 | |
| SCHEMBL5174690 | 0.76 | CDK2 (0.63) | CA2CA1CA9CDK2CDK1 | |
| SCHEMBL4020087 | 0.76 | CDK2 (0.63) | CA2CA1CA9CDK2CDK1 | |
| SCHEMBL1474323 | 0.76 | CA2 (0.62) | CA2CA1CA9CA12CDK2 |
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-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | claimed |
| EP-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | disclosed |