Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 10/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL21362504 | 0.91 | GRM2 (0.34) | BRD4GRM2MAPK14KCNA5HDAC10 | |
| SCHEMBL21362385 | 0.87 | BRD4 (0.35) | BRD4MAPK14HDAC10HDAC6 | |
| SCHEMBL21362513 | 0.83 | GRM2 (0.35) | BRD4GRM2MAPK14KCNA5HDAC10 | |
| SCHEMBL21564907 | 0.82 | P2RX7 (0.36) | BRD4GRM2HDAC10HDAC6 | |
| SCHEMBL21362691 | 0.79 | MAPK14 (0.38) | BRD4GRM2MAPK14 | |
| SCHEMBL21362077 | 0.79 | BRD4 (0.40) | BRD4GRM2MAPK14 | |
| SCHEMBL20157852 | 0.79 | BRD4 (0.36) | BRD4GRM2HDAC10HDAC6 | |
| SCHEMBL21550010 | 0.79 | BRD4 (0.36) | BRD4GRM2MAPK14HDAC10HDAC6 | |
| SCHEMBL21362100 | 0.78 | BRD4 (0.41) | BRD4GRM2MAPK14 | |
| SCHEMBL21564931 | 0.78 | P2RX7 (0.34) | BRD4GRM2MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |