Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12704999 | 0.79 | EPHX1 (0.45) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL12705000 | 0.79 | EPHX1 (0.45) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL11991797 | 0.79 | EPHX1 (0.45) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL11991795 | 0.77 | CYP19A1 (0.42) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL29163208 | 0.76 | CYP19A1 (0.42) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL17281530 | 0.76 | CYP19A1 (0.50) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL21396853 | 0.75 | L3MBTL1 (0.38) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL14422659 | 0.74 | EPHX1 (0.48) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL5008329 | 0.74 | L3MBTL1 (0.37) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 | |
| SCHEMBL5012428 | 0.74 | L3MBTL1 (0.37) | CYP19A1EPHX1NAAAL3MBTL1CYP2C19 |
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-106278887-A | A kind of synthetic method of 2,3,3,3 tetrafluoro propionic esters | 赵满良 | 2017-01-04 | — | — | CN | disclosed |