Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 4/20 | 0.42 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | AURKA | O14965 | 6/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.39 |
| ▸ | CDC7 | O00311 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.37 |
| ▸ | PAK4 | O96013 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
| ▸ | MET | P08581 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | FLT1 | P17948 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108134 | 0.87 | ALK (0.52) | ALKEGFRAURKAAURKBCDC7 | |
| SCHEMBL30108139 | 0.86 | ALK (0.51) | ALKAURKBCDC7MAPK8DAPK3 | |
| SCHEMBL28729877 | 0.86 | EGFR (0.43) | ALKEGFRAURKACDK9CCNT1 | |
| SCHEMBL30108145 | 0.84 | ALK (0.61) | ALKIGF1RINSRLRRK2 | |
| SCHEMBL29595342 | 0.83 | AURKA (0.44) | ALKEGFRAURKACDK9AURKB | |
| SCHEMBL28729729 | 0.83 | AURKA (0.44) | ALKEGFRAURKACDK9AURKB | |
| SCHEMBL30108147 | 0.79 | ALK (0.55) | ALKMAPK8IGF1RMAPK9INSR | |
| SCHEMBL30108135 | 0.78 | ALK (0.53) | ALKAURKBCDC7MAPK8DAPK3 | |
| SCHEMBL19254474 | 0.78 | EGFR (0.42) | ALKEGFRAURKACDK9CCNT1 | |
| SCHEMBL30948589 | 0.78 | CCNT1 (0.42) | ALKEGFRCDK9CCNT1AURKB |
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-B | Polysubstituted triaryl macrocyclic compounds and uses thereof | 中国药科大学 | 2022-12-06 | — | — | CN | disclosed |