Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 6/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.41 |
| ▸ | AURKA | O14965 | 5/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.37 |
| ▸ | EGFR | P00533 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23963005 | 0.78 | ITK (0.53) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL18154707 | 0.68 | ITK (0.65) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL30230471 | 0.68 | ITK (0.65) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL28636724 | 0.67 | ITK (0.48) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL18154760 | 0.67 | ITK (0.56) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL30353181 | 0.66 | ITK (0.55) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL2120764 | 0.66 | ITK (0.62) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL29537888 | 0.66 | ITK (0.62) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL13675364 | 0.64 | ITK (0.56) | ITKIGF1RKDRFGFR1AURKA | |
| SCHEMBL18154778 | 0.64 | ITK (0.59) | ITKIGF1RKDRFGFR1AURKA |
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-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |