Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587262 | 0.91 | CYP2C9 (0.41) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL29587553 | 0.84 | CYP2C9 (0.47) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL18703962 | 0.84 | CYP2C9 (0.47) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL14973354 | 0.83 | CYP2C9 (0.46) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL14973355 | 0.83 | CYP2C9 (0.46) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL15283741 | 0.81 | CYP2C9 (0.44) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL15283742 | 0.81 | CYP2C9 (0.44) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL29586926 | 0.80 | CYP2C9 (0.40) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL7103882 | 0.79 | MAPT (0.45) | CYP2C9ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL15292274 | 0.78 | CYP2C9 (0.41) | CYP2C9ALDH1A1KMT2ALMNAMAPT |
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-108138052-B | Chiral compounds | 默克专利股份有限公司 | 2022-04-12 | — | — | CN | disclosed |