Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.76 |
| ▸ | TACR2 | P21452 | 2/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | SHBG | P04278 | 1/20 | 0.76 |
| ▸ | TP53 | P04637 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.76 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.76 |
| ▸ | HTR2C | P28335 | 1/20 | 0.76 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
| ▸ | TST | Q16762 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL20233 | 0.95 | ESR1 (0.83) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Octylphenol SCHEMBL11255480 | 0.94 | PTGS2 (0.88) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL27587362 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL21632769 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL28019053 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Butane SCHEMBL11811032 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Propane SCHEMBL27619750 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL28796641 | 0.93 | PTGS2 (0.87) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL28211004 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL28192405 | 0.93 | ESR1 (0.79) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107645910-A | Mono-and diglycerides of omega-3 fatty acid emulsions | 麦赛尔科技有限责任公司 | 2018-01-30 | — | — | CN | claimed |
| CN-106226413-A | The assay method of the tert-butyl group 4 hydroxyanisol in a kind of dry food analogies | 常州工学院 | 2016-12-14 | — | — | CN | claimed |
| CN-109432061-A | Multi-layer transdermal delivery system containing ibuprofen or structural analogs thereof | 北京德默高科医药技术有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-109415647-A | LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE | 株式会社ADEKA | 2019-03-01 | — | — | CN | disclosed |
| CN-108858885-A | A kind of clean method of waste plastic | 界首市亚鑫塑业有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108290979-A | Vinyl chloride-based polymer composite material, method for producing same, and vinyl chloride-based polymer composite material composition | 株式会社LG化学 | 2018-07-17 | — | — | CN | disclosed |