Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26548374 | 0.84 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26820145 | 0.84 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL22389484 | 0.84 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26547922 | 0.84 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26820138 | 0.84 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26830018 | 0.83 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26820155 | 0.83 | KIF11 (0.61) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL21235681 | 0.83 | ESR1 (0.41) | ESR1ESR2PTPN1CA1CA2 | |
| SCHEMBL26548865 | 0.82 | KIF11 (0.59) | ESR1ESR2ALOX5PTPN1CA1 | |
| SCHEMBL26548556 | 0.82 | KIF11 (0.59) | ESR1ESR2ALOX5PTPN1CA1 |
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-109704914-A | A kind of facile syntheesis new method of 1,1- bis-fluoro ethyls aromatic compound | 山东理工大学 | 2019-05-03 | — | — | CN | disclosed |