Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 3/20 | 0.54 |
| ▸ | INSR | P06213 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PYGL | P06737 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.46 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728853 | 1.00 | ALK (0.54) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL28728760 | 0.92 | ALK (0.62) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL29594619 | 0.92 | ALK (0.62) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL28728802 | 0.90 | INSR (0.51) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL29593578 | 0.90 | INSR (0.51) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL29594677 | 0.83 | ALK (0.62) | ALKINSREGFRKDRROS1 | |
| SCHEMBL28729889 | 0.83 | ALK (0.62) | ALKINSREGFRKDRROS1 | |
| SCHEMBL29594776 | 0.81 | AURKA (0.49) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL28728800 | 0.81 | AURKA (0.49) | ALKINSREGFRKDRCHEK1 | |
| SCHEMBL23924759 | 0.79 | EGFR (0.46) | EGFRKDRALDH1A1TSHRIDO1 |
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 |