Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362021 | 0.86 | ACHE (0.38) | GAATOP2ATOP2B | |
| SCHEMBL20157890 | 0.82 | OPRK1 (0.35) | GAATUBB1TOP2ATOP2B | |
| SCHEMBL20157860 | 0.74 | PDE10A (0.38) | GAATOP2ATOP2B | |
| SCHEMBL24826176 | 0.74 | MGAM (0.40) | GAA | |
| SCHEMBL20157891 | 0.73 | KDM1A (0.43) | TRPA1TUBB1KDM1A | |
| SCHEMBL6742136 | 0.72 | LMNA (0.44) | TRPA1 | |
| SCHEMBL11863667 | 0.71 | CNR2 (0.47) | GAATOP2ATOP2B | |
| SCHEMBL20157931 | 0.71 | GAA (0.38) | GAATOP2ATOP2B | |
| SCHEMBL20157895 | 0.69 | TOP2A (0.37) | GAATOP2ATOP2B | |
| SCHEMBL20157992 | 0.69 | TOP2A (0.40) | GAATUBB1TOP2ATOP2B |
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 |