Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLKL | Q8NB16 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 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 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157837 | 0.90 | ACHE (0.39) | ALDH1A1LMNAKMT2ABRD4NPC1 | |
| SCHEMBL20157583 | 0.83 | LMNA (0.46) | ALDH1A1LMNAADRA1AKMT2ABRD4 | |
| SCHEMBL30986713 | 0.81 | MLKL (0.41) | MLKLALDH1A1LMNAKMT2ATSHR | |
| SCHEMBL11854000 | 0.81 | MLKL (0.41) | MLKLALDH1A1LMNAKMT2ATSHR | |
| SCHEMBL135819 | 0.78 | LMNA (0.42) | ALDH1A1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL2477156 | 0.78 | LMNA (0.42) | ALDH1A1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL20157701 | 0.78 | LMNA (0.39) | MLKLLMNASLC6A2KMT2ABRD4 | |
| SCHEMBL21362648 | 0.75 | ACHE (0.39) | ALDH1A1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL21362626 | 0.75 | ALDH1A1 (0.31) | MLKLALDH1A1LMNAKMT2AIGF1R | |
| SCHEMBL20157931 | 0.75 | GAA (0.38) | LMNASLC6A2CYP3A4CYP2C19L3MBTL1 |
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 |