Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethyl Bromo Acetate SCHEMBL31037868 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TRPA1TSHRMGAMGAA | |
| SCHEMBL5514238 | 0.84 | CYP1A2 (0.47) | ALDH1A1TRPA1TSHRMGAMGAA | |
| Ethyl Bromo Acetate SCHEMBL1332025 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332675 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332372 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL10480892 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TRPA1TSHRMGAMGAA | |
| Ethyl Acetate SCHEMBL27578367 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TRPA1TSHRMGAMGAA | |
| Ethyl Bromo Acetate SCHEMBL31037865 | 0.79 | ALDH1A1 (0.63) | ALDH1A1TRPA1TSHRMGAMGAA | |
| Ethyl Bromo Acetate SCHEMBL4675250 | 0.79 | ALDH1A1 (0.85) | ALDH1A1TRPA1TSHRMGAMGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901673-B | Preparation method of solution phase peptide nucleic acid oligomer | 海阳生物材料有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-116283817-B | NO donor type HDAC inhibitor, composition and application thereof | 安徽中医药大学 | 2024-08-02 | — | — | CN | disclosed |
| CN-118234717-A | Bicyclic heteroaromatic compounds and their use as pest control agents | PI工业有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-111886226-B | Compounds, anti-inflammatory agents containing the same, and cyclooxygenase-2 inhibitors | 张用敏 | 2023-08-15 | — | — | CN | disclosed |
| CN-112262002-B | Compound for repairing contaminated soil or contaminated water | FNG研究有限公司 | 2023-03-28 | — | — | CN | disclosed |