Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 6/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | GNRHR | P30968 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | HPN | P05981 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | 0.92 | GRM2 (0.34) | GRM2MAPK14HDAC6HDAC10RAF1 | |
| SCHEMBL20158054 | 0.86 | BRD4 (0.41) | GRM2MAPK14HDAC6HDAC10RAF1 | |
| SCHEMBL20157755 | 0.86 | BRD4 (0.35) | GRM2MAPK14HDAC6HDAC10RAF1 | |
| SCHEMBL20157374 | 0.84 | EPHX2 (0.41) | BRD4SMN1; SMN2THRB | |
| SCHEMBL20157758 | 0.84 | RAF1 (0.40) | RAF1BRAFBRD4 | |
| SCHEMBL21362708 | 0.83 | BRD4 (0.33) | GRM2MAPK14HDAC6HDAC10BRD4 | |
| SCHEMBL21564907 | 0.80 | P2RX7 (0.36) | GRM2HDAC6HDAC10BRD4 | |
| SCHEMBL21362385 | 0.79 | BRD4 (0.35) | MAPK14HDAC6HDAC10BRD4 | |
| SCHEMBL20157320 | 0.79 | EPHX2 (0.41) | BRD4KCNA5SMN1; SMN2THRB | |
| SCHEMBL20157896 | 0.79 | BRD4 (0.35) | GRM2MAPK14HDAC6HDAC10RAF1 |
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 |