Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.55 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21656493 | 0.92 | CA12 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL668192 | 0.86 | CA12 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1742368 | 0.84 | CA12 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL15942603 | 0.83 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2879531 | 0.83 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL18275075 | 0.82 | CA1 (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2883727 | 0.81 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2294507 | 0.81 | MAPT (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.81 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL13410336 | 0.81 | CA1 (0.51) | CA1CA2CA12CA7CA9 |
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 |