Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 1-Hydroxy-3-Methoxybenzene SCHEMBL27470118 | 0.87 | ESR1 (0.60) | CES2CES1ACHEPARP1CYP3A4 | |
| 1,3-Dimethoxybenzene SCHEMBL28217358 | 0.86 | ACHE (0.54) | CES2CES1LMNAACHEPARP1 | |
| 1,3-Dimethoxybenzene SCHEMBL27700724 | 0.85 | ACHE (0.64) | CES2CES1LMNAACHEPARP1 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.84 | ACHE (0.70) | CES2CES1LMNAACHEPARP1 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.84 | ACHE (0.70) | CES2CES1LMNAACHEPARP1 | |
| Anisole SCHEMBL23856067 | 0.83 | CA4 (0.70) | CES2CES1LMNACA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL27703685 | 0.82 | ACHE (0.61) | CES2CES1LMNAACHEPARP1 | |
| SCHEMBL98036 | 0.82 | ACHE (0.50) | CES2CES1LMNAACHEPARP1 | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.82 | ACHE (0.67) | CES2CES1LMNAACHEPARP1 | |
| 1,3-Dimethoxybenzene SCHEMBL28542304 | 0.82 | ACHE (0.67) | CES2CES1LMNAACHEPARP1 |
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-109422740-A | A kind of tropane type alkaloid and its synthetic method | 中南民族大学 | 2019-03-05 | — | — | CN | claimed |
| CN-107382766-B | A kind of Pd (PPh3)4The amides compound synthetic method of catalysis | 中国人民解放军63975部队 | 2019-09-24 | — | — | CN | disclosed |
| CN-105153089-B | Derivative with 5,2 '-dihydroxy -4 '-methoxyl group -3- geranyl lavonoid backbones and its preparation method and application | 广西师范学院 | 2018-05-08 | — | — | CN | disclosed |
| CN-107382766-A | A kind of Pd（PPh3）4The amides compound synthetic method of catalysis | 中国人民解放军63975部队 | 2017-11-24 | — | — | CN | disclosed |
| CN-106187803-A | The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes | 中国人民解放军63975部队 | 2016-12-07 | — | — | CN | disclosed |