Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 7/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.32 |
| ▸ | CLK1 | P49759 | 2/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CLK3 | P49761 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133752 | 1.00 | HTT (0.36) | HTTCCNCCDK8FBP1EGFR | |
| SCHEMBL29133739 | 0.87 | HTT (0.50) | HTTCCNCCDK8IRAK4LMNA | |
| SCHEMBL29133745 | 0.87 | HTT (0.50) | HTTCCNCCDK8IRAK4LMNA | |
| SCHEMBL29133728 | 0.81 | IRAK4 (0.48) | EGFRCD38IRAK4CLK1MAP4K4 | |
| SCHEMBL29133774 | 0.79 | IRAK4 (0.47) | EGFRCD38IRAK4MAP4K4LMNA | |
| SCHEMBL29133716 | 0.78 | IRAK4 (0.39) | EGFRIRAK4CLK1MAP4K4CLK4 | |
| SCHEMBL27736388 | 0.77 | KDM4E (0.35) | HTTEGFRFLT1IRAK4LMNA | |
| SCHEMBL29133742 | 0.77 | IRAK4 (0.35) | CD38IRAK4CLK1MAP4K4CLK2 | |
| SCHEMBL29133743 | 0.77 | PIK3CA (0.53) | CLK1MAP4K4CLK2CLK3DYRK1A | |
| SCHEMBL29133732 | 0.77 | PIK3CA (0.52) | EGFRIRAK4LMNA |
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-117295716-A | Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors | 麦克尼斯迪克治疗有限公司 | 2023-12-26 | — | — | CN | disclosed |