Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16439916 | 0.82 | PTPN1 (0.55) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL18936186 | 0.82 | PTPN1 (0.55) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL29728142 | 0.82 | PTPN1 (0.55) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL30706974 | 0.81 | PTPN1 (0.59) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL30985267 | 0.81 | PTPN1 (0.59) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL1538767 | 0.81 | PTPN1 (0.59) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL28256745 | 0.78 | PTPN1 (0.52) | PTPN1CYP2A6CYP1A2KDM4EMAPT | |
| SCHEMBL7255062 | 0.78 | PTPN1 (0.56) | PTPN1KDM4EMAPTALDH1A1HSD17B10 | |
| SCHEMBL14189008 | 0.78 | PTPN1 (0.52) | PTPN1CYP2A6CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL7817175 | 0.77 | PTPN1 (0.55) | PTPN1CYP2A6CYP1A2KDM4EMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104829420-B | A kind of method that directly aryl diazonium salts is carried out seven fluorine isopropylations by hexafluoropropene | 中国科学院上海有机化学研究所 | 2016-09-14 | — | — | CN | disclosed |
| CN-104803826-B | A kind of method utilizing hexafluoropropene that aryl boric acid directly aoxidizes seven fluorine isopropylations | 中国科学院上海有机化学研究所 | 2016-08-17 | — | — | CN | disclosed |
| CN-104829420-A | Method for carrying out direct heptafluoro-isopropylation on aryl diazo salts through hexafluoropropylene | SHANGHAI INST ORGANIC CHEM | 2015-08-12 | — | — | CN | disclosed |
| CN-104803826-A | Method for directly oxidizing arylboronic acid into heptafluoroisopropyl by utilizing hexafluoropropylene | SHANGHAI INST ORGANIC CHEM | 2015-07-29 | — | — | CN | disclosed |