Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 11/20 | 1.00 |
| ▸ | CCNB2 | O95067 | 4/20 | 1.00 |
| ▸ | CCNB1 | P14635 | 4/20 | 1.00 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 1.00 |
| ▸ | CDK2 | P24941 | 8/20 | 0.68 |
| ▸ | JAK1 | P23458 | 9/20 | 0.68 |
| ▸ | TYK2 | P29597 | 9/20 | 0.68 |
| ▸ | JAK3 | P52333 | 7/20 | 0.68 |
| ▸ | JAK2 | O60674 | 6/20 | 0.68 |
| ▸ | PLK4 | O00444 | 1/20 | 0.68 |
| ▸ | STK25 | O00506 | 1/20 | 0.68 |
| ▸ | RIOK3 | O14730 | 1/20 | 0.68 |
| ▸ | AURKA | O14965 | 1/20 | 0.68 |
| ▸ | GAK | O14976 | 1/20 | 0.68 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.68 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.68 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.68 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL5964702 | 0.91 | CDK1 (0.82) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL7089472 | 0.88 | CDK1 (0.78) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL4157634 | 0.85 | CDK1 (0.80) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL7092328 | 0.85 | CDK1 (0.78) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5725874 | 0.84 | CDK1 (0.77) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5725945 | 0.82 | CDK1 (0.72) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| Jnj-7706621 SCHEMBL1060773 | 0.81 | CDK1 (1.00) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5110157 | 0.81 | CDK1 (0.83) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL12755109 | 0.81 | CDK1 (0.72) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL5964764 | 0.81 | CDK1 (0.71) | 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 1 patent. 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 |