Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | ITK | Q08881 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | PIP5K1C | O60331 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25184174 | 0.88 | ITK (0.48) | PARP1ITKACACBENPP2ATXN2 | |
| SCHEMBL30066292 | 0.83 | ITK (0.47) | PARP1ITKPIP5K1C | |
| SCHEMBL24671255 | 0.83 | ITK (0.47) | PARP1ITKPIP5K1C | |
| SCHEMBL29207791 | 0.79 | ITK (0.47) | ITKAURKALCKPIP5K1C | |
| SCHEMBL12964249 | 0.76 | ITK (0.48) | ITKAURKALCKPIP5K1CALDH1A1 | |
| SCHEMBL30066578 | 0.75 | ITK (0.51) | ITKPIP5K1CALDH1A1KMT2A | |
| SCHEMBL24671204 | 0.73 | ITK (0.49) | PARP1ITKACACBPIP5K1CMEN1 | |
| SCHEMBL30801267 | 0.73 | ITK (0.49) | PARP1ITKACACBPIP5K1CMEN1 | |
| SCHEMBL30863357 | 0.71 | ITK (0.54) | ITKPIP5K1C | |
| SCHEMBL24670928 | 0.70 | ITK (0.53) | PARP1ITKFLT3GABRA5PIP5K1C |
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-117693502-A | Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same | 纽力克斯治疗公司 | 2024-03-12 | — | — | CN | disclosed |