Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 10/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 3/20 | 0.41 |
| ▸ | PAK4 | O96013 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL16444835 | 0.76 | ITK (0.54) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL3532347 | 0.73 | ITK (0.50) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL13072363 | 0.73 | ITK (0.50) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL3529643 | 0.73 | ITK (0.50) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL12431073 | 0.73 | IGF1R (0.42) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL12431057 | 0.71 | ITK (0.41) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL13054775 | 0.71 | AURKA (0.42) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL29537888 | 0.71 | ITK (0.62) | ITKAURKAAURKBSRCDHODH | |
| SCHEMBL902289 | 0.71 | ITK (0.54) | ITKAURKAAURKBGSK3BSRC | |
| SCHEMBL24741794 | 0.70 | AURKA (0.42) | ITKAURKAAURKBGSK3BGSK3A |
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-2022206888-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2022-10-06 | — | — | WO | disclosed |