Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 14/20 | 1.00 |
| ▸ | CCNB2 | O95067 | 13/20 | 1.00 |
| ▸ | CCNB1 | P14635 | 13/20 | 1.00 |
| ▸ | CCNB3 | Q8WWL7 | 13/20 | 1.00 |
| ▸ | CDK2 | P24941 | 7/20 | 0.71 |
| ▸ | CDK4 | P11802 | 4/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.71 |
| ▸ | CCND1 | P24385 | 4/20 | 0.71 |
| ▸ | MAPK3 | P27361 | 4/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.71 |
| ▸ | KDR | P35968 | 4/20 | 0.71 |
| ▸ | GSK3A | P49840 | 4/20 | 0.71 |
| ▸ | GSK3B | P49841 | 4/20 | 0.71 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.71 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.71 |
| ▸ | EGFR | P00533 | 2/20 | 0.71 |
| ▸ | INSR | P06213 | 2/20 | 0.71 |
| ▸ | CSNK1A1 | P48729 | 3/20 | 0.54 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.54 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5725848 | 0.86 | CDK1 (0.78) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5727292 | 0.84 | CDK1 (0.83) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5104822 | 0.82 | CDK1 (0.69) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5104825 | 0.79 | CDK1 (0.64) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5726498 | 0.76 | CDK1 (0.71) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5725430 | 0.75 | CDK1 (0.84) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5726856 | 0.74 | CDK1 (0.74) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5726353 | 0.74 | CDK1 (0.68) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5964771 | 0.74 | CDK1 (0.65) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5726923 | 0.74 | CDK1 (0.67) | CDK1CCNB2CCNB1CCNB3CDK2 |
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-1712550-A2 | Substituted triazole diamine derivatives as kinase inhibitors | Ortho-McNeil Pharmaceutical, Inc. (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1355889-B1 | SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS | ORTHO MCNEIL PHARM INC (US) | 2006-06-07 | — | — | EP | disclosed |