Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29066458 | 1.00 | CYP1A2 (0.35) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL1997874 | 0.76 | CYP1A2 (0.57) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL11472130 | 0.76 | CYP1A2 (0.57) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL891562 | 0.76 | CYP1A2 (0.57) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL10851929 | 0.74 | CYP1A2 (0.33) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL28956424 | 0.72 | CYP1A2 (0.45) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL28858236 | 0.72 | CYP1A2 (0.45) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL1183480 | 0.71 | CYP1A2 (0.37) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL28235472 | 0.71 | APP (0.36) | CYP1A2APPSNCAALDH1A1LMNA | |
| SCHEMBL972871 | 0.70 | CYP1A2 (0.33) | CYP1A2APPSNCA |
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-117567285-A | Beta-ionone analogue containing ester group and preparation and application thereof | 中国农业大学 | 2024-02-20 | — | — | CN | disclosed |