Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157992 | 0.82 | TOP2A (0.40) | LMNA | |
| SCHEMBL21362648 | 0.81 | ACHE (0.39) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL20157895 | 0.79 | TOP2A (0.37) | LMNA | |
| SCHEMBL2474757 | 0.79 | LMNA (0.47) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL28493300 | 0.79 | LMNA (0.47) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL13345087 | 0.79 | TRPA1 (0.47) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL21564876 | 0.75 | LMNA (0.34) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL11859495 | 0.74 | MLKL (0.45) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL21550255 | 0.74 | TRPA1 (0.33) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL20157481 | 0.72 | TOP2A (0.39) | LMNA |
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 |