Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CDK1 | P06493 | 7/20 | 0.51 |
| ▸ | CDK2 | P24941 | 7/20 | 0.51 |
| ▸ | KDR | P35968 | 5/20 | 0.51 |
| ▸ | CDK4 | P11802 | 4/20 | 0.51 |
| ▸ | CDK9 | P50750 | 4/20 | 0.51 |
| ▸ | CDK7 | P50613 | 3/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.51 |
| ▸ | CCND1 | P24385 | 3/20 | 0.51 |
| ▸ | CCNH | P51946 | 1/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.49 |
| ▸ | TYK2 | P29597 | 3/20 | 0.49 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.49 |
| ▸ | STK16 | O75716 | 2/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3873384 | 0.83 | CA2 (0.62) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL4062164 | 0.83 | NTRK1 (0.63) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL4020350 | 0.80 | CDK1 (0.47) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL3873057 | 0.80 | CA2 (0.60) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL4063392 | 0.79 | CA2 (0.57) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL4061169 | 0.78 | CA2 (0.70) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL3873050 | 0.78 | STK17A (0.73) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL3865620 | 0.77 | STK17A (0.68) | CA2CDK1CDK2KDRCDK4 | |
| Hydrochloric Acid SCHEMBL3869305 | 0.77 | STK17A (0.71) | CA2CDK1CDK2KDRCDK4 | |
| SCHEMBL1916973 | 0.76 | PTK2 (0.48) | CDK2PTK2CHEK1AURKARPS6KA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | disclosed |