Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 18/20 | 0.58 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | CLK2 | P49760 | 1/20 | 0.50 |
| ▸ | CLK3 | P49761 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054080 | 0.83 | CHEK1 (0.59) | ITKCHEK1 | |
| SCHEMBL4125079 | 0.78 | ITK (0.68) | ITKCHEK1 | |
| SCHEMBL13655342 | 0.75 | TERT (0.41) | ITKCHEK1CLK2CLK3DYRK1A | |
| SCHEMBL4125841 | 0.74 | ITK (1.00) | ITK | |
| SCHEMBL29470244 | 0.73 | ITK (1.00) | ITKCHEK1 | |
| SCHEMBL145584 | 0.73 | ITK (1.00) | ITKCHEK1 | |
| SCHEMBL146834 | 0.73 | CHEK1 (0.76) | ITKCHEK1 | |
| SCHEMBL5061452 | 0.72 | ITK (0.66) | ITKCHEK1 | |
| SCHEMBL4130575 | 0.71 | ITK (0.73) | ITKCHEK1 | |
| SCHEMBL4151021 | 0.71 | CHEK1 (0.64) | ITKCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | disclosed |