Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 4/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | RPS6KA2 | Q15349 | 9/20 | 0.40 |
| ▸ | SCD | O00767 | 2/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL952163 | 0.92 | ITK (0.51) | ITKALDH1A1NAMPTRPS6KA2SCD | |
| SCHEMBL949773 | 0.91 | SCD (0.50) | SCDSCD5 | |
| SCHEMBL950523 | 0.91 | TAS2R8 (0.46) | ITKAURKAALDH1A1NAMPTRPS6KA2 | |
| SCHEMBL950204 | 0.88 | ITK (0.58) | ITKAURKAALDH1A1RIPK1SCD | |
| SCHEMBL949475 | 0.88 | ITK (0.43) | ITKALDH1A1RPS6KA2SCDSCD5 | |
| SCHEMBL950895 | 0.88 | SMN1; SMN2 (0.49) | ITKALDH1A1NAMPTRPS6KA2SCD | |
| SCHEMBL949336 | 0.88 | RPS6KA2 (0.46) | ITKALDH1A1RPS6KA2SCDSCD5 | |
| SCHEMBL948498 | 0.87 | SCD (0.47) | ITKAURKAALDH1A1RIPK1NAMPT | |
| SCHEMBL948351 | 0.87 | ITK (0.42) | ITKALDH1A1NAMPTRPS6KA2SCD | |
| SCHEMBL950985 | 0.87 | ITK (0.44) | ITKALDH1A1RPS6KA2SCDSCD5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9604975-B2 | Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity | VERNALIS (R&D) LTD (GB) | 2017-03-28 | — | — | US | disclosed |