Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL30847814 | 0.99 | HSD11B1 (0.45) | HSD11B1CES1CDC25AHRH3HSD17B10 | |
| SCHEMBL30847887 | 0.95 | HSD11B1 (0.46) | HSD11B1CES1CDC25AHRH3RARB | |
| Iodide SCHEMBL30847673 | 0.76 | GABRA1 (0.36) | ALDH1A1ADORA3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30847712 | 0.75 | SPHK1 (0.45) | HSD11B1HSD17B10RARBALDH1A1MEN1 | |
| Iodide SCHEMBL30847734 | 0.75 | NR1H2 (0.42) | CES1CDC25ANR1H2NR1H3ALDH1A1 | |
| SCHEMBL30847874 | 0.72 | S1PR1 (0.40) | HSD11B1CES1NR1H2NR1H3ALDH1A1 | |
| Iodide SCHEMBL30847784 | 0.71 | S1PR1 (0.40) | HSD11B1CES1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL5599432 | 0.71 | HSD11B1 (0.61) | HSD11B1HSD17B10TSHRGPR3RARB | |
| SCHEMBL35867 | 0.71 | HSD11B1 (0.61) | HSD11B1HSD17B10TSHRGPR3RARB | |
| Phosphine SCHEMBL27545611 | 0.70 | HSD11B1 (0.59) | HSD11B1HSD17B10TSHRGPR3RARB |
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 |