Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 15/20 | 0.72 |
| ▸ | AURKB | Q96GD4 | 14/20 | 0.72 |
| ▸ | LCK | P06239 | 14/20 | 0.72 |
| ▸ | EGFR | P00533 | 1/20 | 0.70 |
| ▸ | INSR | P06213 | 1/20 | 0.70 |
| ▸ | SRC | P12931 | 1/20 | 0.70 |
| ▸ | TEC | P42680 | 1/20 | 0.70 |
| ▸ | TXK | P42681 | 1/20 | 0.70 |
| ▸ | BMX | P51813 | 1/20 | 0.70 |
| ▸ | BTK | Q06187 | 1/20 | 0.70 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.70 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.70 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.70 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL454065 | 1.00 | ITK (0.72) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL3797532 | 0.91 | ITK (0.79) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL3797542 | 0.91 | ITK (0.79) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL142867 | 0.90 | ITK (0.77) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL142868 | 0.90 | ITK (0.77) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL178959 | 0.89 | ITK (0.76) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL140605 | 0.85 | ITK (0.80) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL140604 | 0.85 | ITK (0.80) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL140685 | 0.85 | ITK (0.75) | ITKAURKBLCKEGFRINSR | |
| SCHEMBL140684 | 0.85 | ITK (0.75) | ITKAURKBLCKEGFRINSR |
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-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |