Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484774 | 0.83 | RAB9A (0.42) | CYP3A4TSHRMAPK1TDP1PDK2 | |
| SCHEMBL5354832 | 0.77 | CYP3A4 (0.40) | CYP3A4TSHRMAPK1TDP1PDK2 | |
| SCHEMBL21718747 | 0.74 | MAPK1 (0.41) | CYP3A4TSHRMAPK1TDP1CYP1A2 | |
| SCHEMBL951322 | 0.70 | RAB9A (0.46) | CYP3A4TSHRMAPK1TDP1PDK2 | |
| SCHEMBL30160661 | 0.70 | RAB9A (0.46) | CYP3A4TSHRMAPK1TDP1PDK2 | |
| SCHEMBL80822 | 0.67 | — | — | |
| SCHEMBL3789153 | 0.66 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1TDP1PDK2 | |
| SCHEMBL29720648 | 0.64 | — | — | |
| SCHEMBL79921 | 0.64 | — | — | |
| SCHEMBL29403188 | 0.64 | TSHR (0.62) | CYP3A4TSHRMAPK1TDP1CYP1A2 |
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 2 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-104829420-A | Method for carrying out direct heptafluoro-isopropylation on aryl diazo salts through hexafluoropropylene | SHANGHAI INST ORGANIC CHEM | 2015-08-12 | — | — | CN | disclosed |