Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 13/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 11/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21296916 | 0.77 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL31544769 | 0.77 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL29551999 | 0.77 | HSD17B1 (0.88) | HSD17B1HSD17B2CYP3A4CYP2C9CA12 | |
| SCHEMBL69369 | 0.77 | HSD17B1 (0.88) | HSD17B1HSD17B2CYP3A4CYP2C9CA12 | |
| SCHEMBL31545504 | 0.76 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C9CA12 | |
| SCHEMBL4450693 | 0.76 | ALOX5 (0.48) | TSHRALDH1A1ESR2 | |
| SCHEMBL32668866 | 0.75 | AHR (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR | |
| SCHEMBL8050006 | 0.75 | HSD17B1 (0.94) | HSD17B1HSD17B2CYP3A4CYP2C9CA12 | |
| Ammonia Solution, Strong SCHEMBL28150307 | 0.75 | HSD17B1 (0.83) | HSD17B1HSD17B2CYP3A4CYP2C9CA12 | |
| SCHEMBL1029061 | 0.74 | TSHR (0.73) | HSD17B1HSD17B2CYP3A4CYP2C9TSHR |
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-115948481-A | Method for synthesizing 2,2',4, 5' -pentachloro-3-biphenylol based on rat liver microsome incubation system | 中国农业科学院农业质量标准与检测技术研究所 | 2023-04-11 | — | — | CN | disclosed |