Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 11/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157431 | 0.83 | THRB (0.34) | BRD4THRBMAPTMAPK14SMN1; SMN2 | |
| SCHEMBL21362057 | 0.79 | MAPK14 (0.32) | BRD4THRBMAPTMAPK14HDAC3 | |
| SCHEMBL21362446 | 0.79 | BRD4 (0.36) | BRD4 | |
| SCHEMBL21362147 | 0.78 | BRD4 (0.31) | BRD4THRBMAPT | |
| SCHEMBL20158149 | 0.77 | GRM5 (0.33) | BRD4MAPTMAPK14SMN1; SMN2ATM | |
| SCHEMBL21362394 | 0.76 | BRD4 (0.39) | BRD4THRBMAPTMAPK14ATM | |
| SCHEMBL21362189 | 0.76 | BRD4 (0.42) | BRD4THRBMAPK14 | |
| SCHEMBL21362030 | 0.76 | BRD4 (0.35) | BRD4THRBMAPK14 | |
| SCHEMBL21351835 | 0.76 | BRD4 (0.36) | BRD4THRBMAPTMAPK14 | |
| SCHEMBL21351838 | 0.76 | BRD4 (0.36) | BRD4THRBMAPTMAPK14 |
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 |