Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | HK2 | P52789 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL960307 | 1.00 | ESR2 (0.47) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| Hydrochloric Acid SCHEMBL2442635 | 0.98 | KDM4E (0.49) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| SCHEMBL15307765 | 0.77 | MAOB (0.47) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| SCHEMBL633722 | 0.73 | ESR2 (0.40) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| SCHEMBL35864 | 0.72 | HSPA5 (0.43) | CYP3A4CYP2C9MEN1LMNAMAPT | |
| SCHEMBL29368767 | 0.72 | HSPA5 (0.43) | CYP3A4CYP2C9MEN1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL3572840 | 0.71 | KDM4E (0.41) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| SCHEMBL23067398 | 0.71 | AOC2 (0.41) | ESR2KDM4EALDH1A1ESR1ADORA3 | |
| SCHEMBL28475321 | 0.71 | SELL (0.45) | — | |
| SCHEMBL5458032 | 0.71 | TYR (0.58) | KDM4EALDH1A1CYP3A4MEN1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118858482-A | Method for simultaneously detecting blood concentration of levodopa, benserazide and 2,3, 4-trihydroxybenzylhydrazine | 天津汉一医药科技有限公司 | 2024-10-29 | — | — | CN | claimed |
| CN-118858482-A | Method for simultaneously detecting blood concentration of levodopa, benserazide and 2,3, 4-trihydroxybenzylhydrazine | 天津汉一医药科技有限公司 | 2024-10-29 | — | — | CN | disclosed |