Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28729729 | 1.00 | AURKA (0.44) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL29594613 | 0.86 | ALK (0.50) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL28728653 | 0.86 | ALK (0.50) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL29594445 | 0.86 | ALK (0.50) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL28729780 | 0.86 | ALK (0.50) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL28729877 | 0.84 | EGFR (0.43) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL29595331 | 0.84 | ALK (0.60) | IGF1REGFRALKMETMAPT | |
| SCHEMBL28728761 | 0.84 | ALK (0.60) | IGF1REGFRALKMETMAPT | |
| SCHEMBL30108148 | 0.83 | ALK (0.42) | AURKAAURKBCDC7IGF1REGFR | |
| SCHEMBL19254474 | 0.81 | EGFR (0.42) | AURKAAURKBCDC7IGF1REGFR |
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-114394974-A | Polysubstituted triaryl macrocyclic compounds and uses thereof | 中国药科大学 | 2022-04-26 | — | — | CN | disclosed |