Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.51 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2784971 | 0.84 | GAA (0.46) | ESR2ESR1NOS3NOS1NOS2 | |
| SCHEMBL4403121 | 0.72 | ESR2 (0.68) | ESR2ESR1NOS3NOS1CYP2D6 | |
| SCHEMBL1116473 | 0.71 | NOS1 (0.52) | NOS3NOS1NOS2ALDH1A1MEN1 | |
| SCHEMBL20198257 | 0.71 | ESR2 (0.66) | ESR2ESR1NOS3NOS1CYP2D6 | |
| SCHEMBL4402311 | 0.71 | ESR2 (0.71) | ESR2ESR1CYP2D6HIF1ACTSL | |
| SCHEMBL4401106 | 0.71 | ESR2 (0.71) | ESR2ESR1CYP2D6HIF1ACTSL | |
| SCHEMBL12336909 | 0.69 | ESR2 (0.69) | ESR2ESR1NOS3NOS1CYP2D6 | |
| SCHEMBL28815005 | 0.69 | GAA (0.41) | ESR2ESR1NOS3NOS1NOS2 | |
| SCHEMBL10910459 | 0.68 | ESR2 (0.68) | ESR2ESR1NOS3NOS1CYP2D6 | |
| SCHEMBL15275530 | 0.68 | ESR2 (0.75) | ESR2ESR1GAAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114957037-A | Method for synthesizing beta-aminocarbonyl compound by photo-induced oxalyl oxime ester homolytic decarboxylation and activated olefin addition | 中山大学 | 2022-08-30 | — | — | CN | disclosed |