Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157755 | 0.93 | BRD4 (0.35) | HDAC10HDAC6BRD4RAF1BRAF | |
| SCHEMBL20157351 | 0.93 | HDAC10 (0.36) | HDAC10HDAC6PPARGPPARABRD4 | |
| SCHEMBL21362694 | 0.90 | BRD4 (0.34) | HDAC10HDAC6BRD4RAF1BRAF | |
| SCHEMBL21550010 | 0.88 | BRD4 (0.36) | HDAC10HDAC6BRD4RAF1BRAF | |
| SCHEMBL21564878 | 0.88 | BRD4 (0.34) | HDAC10HDAC6BRD4RAF1BRAF | |
| SCHEMBL21362110 | 0.87 | BRD4 (0.34) | HDAC10HDAC6BRD4 | |
| SCHEMBL20158068 | 0.87 | CREBBP (0.34) | RAF1BRAFKCNA5KMT2AMEN1 | |
| SCHEMBL20157896 | 0.86 | BRD4 (0.35) | HDAC10HDAC6BRD4RAF1BRAF | |
| SCHEMBL21564924 | 0.86 | HDAC10 (0.36) | HDAC10HDAC6BRD4PDCD1CD274 | |
| SCHEMBL21550125 | 0.86 | ALDH1A1 (0.36) | HDAC10HDAC6BRD4KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |