Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 16/20 | 0.62 |
| ▸ | AURKA | O14965 | 4/20 | 0.59 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.47 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.47 |
| ▸ | SCD | O00767 | 2/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16163259 | 0.89 | ITK (0.79) | ITKAURKASCD | |
| SCHEMBL14712517 | 0.86 | ITK (0.58) | ITKAURKARPS6KA3RPS6KA2 | |
| SCHEMBL14712567 | 0.86 | ITK (0.60) | ITKAURKA | |
| SCHEMBL14712581 | 0.85 | ITK (0.66) | ITKAURKA | |
| SCHEMBL14712407 | 0.85 | ITK (0.61) | ITKAURKASCDSCD5HCRTR1 | |
| SCHEMBL14712518 | 0.84 | ITK (0.63) | ITKAURKAHCRTR1HCRTR2 | |
| SCHEMBL14712429 | 0.83 | ITK (0.64) | ITKAURKA | |
| SCHEMBL14712582 | 0.82 | ITK (0.56) | ITKAURKARPS6KA3RPS6KA2 | |
| SCHEMBL14712579 | 0.82 | ITK (0.60) | ITKAURKA | |
| SCHEMBL14712454 | 0.81 | ITK (0.56) | ITKAURKARPS6KA3RPS6KA2SCD |
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-2013024011-A1 | INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-21 | — | — | WO | disclosed |