Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 5/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.30 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.30 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362077 | 0.94 | BRD4 (0.40) | BRD4MAPK14GRM2 | |
| SCHEMBL21362694 | 0.93 | BRD4 (0.34) | MAP2K2MAP2K1BRD4MAPK14KCNA5 | |
| SCHEMBL20157909 | 0.92 | BRD4 (0.34) | BRD4MAPK14HDAC10HDAC6 | |
| SCHEMBL21564878 | 0.88 | BRD4 (0.34) | MAP2K2MAP2K1BRD4KCNA5HDAC10 | |
| SCHEMBL20157852 | 0.88 | BRD4 (0.36) | BRD4HDAC10HDAC6GRM2 | |
| SCHEMBL21550010 | 0.88 | BRD4 (0.36) | BRD4MAPK14HDAC10HDAC6RAF1 | |
| SCHEMBL20157755 | 0.88 | BRD4 (0.35) | BRD4MAPK14KCNA5HDAC10HDAC6 | |
| SCHEMBL21564928 | 0.87 | BRD4 (0.35) | BRD4RAF1BRAFGRM2 | |
| SCHEMBL21564924 | 0.87 | HDAC10 (0.36) | BRD4KCNA5HDAC10HDAC6BRD9 | |
| SCHEMBL20158039 | 0.86 | BRD4 (0.34) | BRD4HDAC10HDAC6 |
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 |