Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 9/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL30847753 | 0.90 | RARB (0.40) | SPHK1RARBRARARARGCYP3A4 | |
| SCHEMBL30847840 | 0.75 | HSD11B1 (0.39) | SPHK1RARBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30847723 | 0.75 | HSD11B1 (0.39) | SPHK1RARBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30847763 | 0.75 | HRH3 (0.43) | SPHK1RARBRARARARGCYP3A4 | |
| SCHEMBL28829434 | 0.68 | RARB (0.67) | RARBRARACYP3A4MEN1ALDH1A1 | |
| SCHEMBL5551587 | 0.68 | RARB (0.67) | RARBRARACYP3A4MEN1ALDH1A1 | |
| SCHEMBL30847749 | 0.67 | HSD11B1 (0.40) | RARBRARARARGMEN1ALDH1A1 | |
| SCHEMBL23319637 | 0.66 | RARB (0.60) | RARBRARACYP3A4MEN1ALDH1A1 | |
| SCHEMBL31549867 | 0.66 | RARB (0.68) | RARBRARACYP3A4MEN1ALDH1A1 | |
| SCHEMBL10379965 | 0.66 | RARB (0.68) | RARBRARACYP3A4MEN1ALDH1A1 |
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-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |