Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179942 | 1.00 | MAP4K4 (0.39) | MAP4K4GRM2KCNH2IRAK4NAMPT | |
| SCHEMBL22179710 | 1.00 | MAP4K4 (0.39) | MAP4K4GRM2KCNH2IRAK4NAMPT | |
| SCHEMBL28591475 | 1.00 | MAP4K4 (0.39) | MAP4K4GRM2KCNH2IRAK4NAMPT | |
| SCHEMBL30738414 | 1.00 | MAP4K4 (0.39) | MAP4K4GRM2KCNH2IRAK4NAMPT | |
| SCHEMBL30738554 | 0.91 | SLC34A1 (0.40) | MAP4K4GRM2KCNH2IRAK4NPY5R | |
| SCHEMBL22179708 | 0.91 | SLC34A1 (0.40) | MAP4K4GRM2KCNH2IRAK4NPY5R | |
| SCHEMBL22179959 | 0.89 | HDAC1 (0.46) | MAP4K4GRM2KCNH2GRIN2BLMNA | |
| SCHEMBL30738352 | 0.89 | HDAC1 (0.46) | MAP4K4GRM2KCNH2GRIN2BLMNA | |
| SCHEMBL22180265 | 0.85 | ABL1 (0.47) | KCNH2LMNATSHRABL1HDAC1 | |
| SCHEMBL30738323 | 0.85 | ABL1 (0.47) | KCNH2LMNATSHRABL1HDAC1 |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |