Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 20/20 | 0.74 |
| ▸ | CDK9 | P50750 | 14/20 | 0.74 |
| ▸ | CCNE2 | O96020 | 8/20 | 0.74 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.74 |
| ▸ | CDK7 | P50613 | 4/20 | 0.59 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.59 |
| ▸ | CCNH | P51946 | 3/20 | 0.59 |
| ▸ | CDK1 | P06493 | 2/20 | 0.59 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.59 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.59 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.59 |
| ▸ | CIT | O14578 | 1/20 | 0.59 |
| ▸ | CASK | O14936 | 1/20 | 0.59 |
| ▸ | AURKA | O14965 | 1/20 | 0.59 |
| ▸ | GAK | O14976 | 1/20 | 0.59 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.59 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.59 |
| ▸ | ULK1 | O75385 | 1/20 | 0.59 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.59 |
| ▸ | PAK3 | O75914 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL6692083 | 0.91 | CDK2 (0.70) | CDK2CDK9CCNE2CCNE1CDK7 | |
| SCHEMBL4731289 | 0.85 | CDK2 (1.00) | CDK2CDK9CCNE2CCNE1CDK7 | |
| SCHEMBL4733685 | 0.85 | CDK2 (1.00) | CDK2CDK9CCNE2CCNE1CDK7 | |
| SCHEMBL4730239 | 0.85 | CDK2 (1.00) | CDK2CDK9CCNE2CCNE1CDK7 | |
| Hydrochloric Acid SCHEMBL6183632 | 0.84 | CDK2 (0.98) | CDK2CDK9CCNE2CCNE1CDK7 | |
| Hydrochloric Acid SCHEMBL6183918 | 0.84 | CDK2 (0.98) | CDK2CDK9CCNE2CCNE1CDK7 | |
| Hydrochloric Acid SCHEMBL6183623 | 0.84 | CDK2 (0.98) | CDK2CDK9CCNE2CCNE1CDK7 | |
| SCHEMBL6911788 | 0.77 | CDK2 (0.83) | CDK2CDK9CCNE2CCNE1CDK7 | |
| SCHEMBL6911525 | 0.77 | CDK2 (0.83) | CDK2CDK9CCNE2CCNE1CDK7 | |
| Bms-387032 SCHEMBL187401 | 0.75 | CDK2 (1.00) | CDK2CDK9CCNE2CCNE1CDK7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004113353-A1 | SILICON-COMPRISING AMINOTHIAZOLE DERIVATIVES AS CDK INHIBITORS | AMEDIS PHARMACEUTICALS LTD. (GB) | 2004-12-29 | — | — | WO | disclosed |