Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30847866 | 0.95 | HSD11B1 (0.44) | SPHK1HSD11B1RARBALDH1A1HSD17B10 | |
| SCHEMBL30847698 | 0.75 | HSD11B1 (0.46) | HSD11B1RARBALDH1A1ESR1ADRA2A | |
| Iodide SCHEMBL30847814 | 0.74 | HSD11B1 (0.45) | HSD11B1RARBALDH1A1ESR1ADRA2A | |
| SCHEMBL30847680 | 0.74 | NR1H3 (0.36) | MEN1MAPTKMT2ACHRM3CCKAR | |
| SCHEMBL30847840 | 0.71 | HSD11B1 (0.39) | SPHK1HSD11B1RARBALDH1A1HSD17B10 | |
| SCHEMBL30847887 | 0.69 | HSD11B1 (0.46) | HSD11B1RARBALDH1A1MEN1KMT2A | |
| SCHEMBL35867 | 0.69 | HSD11B1 (0.61) | HSD11B1RARBALDH1A1ESR1ADRA2A | |
| SCHEMBL5599432 | 0.69 | HSD11B1 (0.61) | HSD11B1RARBALDH1A1ESR1ADRA2A | |
| SCHEMBL10885617 | 0.68 | ESR1 (0.58) | HSD11B1RARBALDH1A1ESR1ADRA2A | |
| SCHEMBL10380994 | 0.68 | ESR1 (0.58) | HSD11B1RARBALDH1A1ESR1ADRA2A |
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 |