Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21181867 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8638304 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL3842131 | 0.77 | PPARA (0.40) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Estragole SCHEMBL900647 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Estragole SCHEMBL57204 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL21723340 | 0.77 | RAB9A (0.39) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL197077 | 0.76 | ELANE (0.50) | ALDH1A1CYP3A4TSHRPPARGPPARA | |
| SCHEMBL88416 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL437832 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL9352993 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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-117326923-A | Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof | 上海应用技术大学 | 2024-01-02 | — | — | CN | disclosed |