Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | FABP7 | O15540 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL12705000 | 0.84 | EPHX1 (0.45) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL11991797 | 0.84 | EPHX1 (0.45) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL12704999 | 0.84 | EPHX1 (0.45) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL11991795 | 0.81 | CYP19A1 (0.42) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL12704998 | 0.77 | CYP19A1 (0.39) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL29163208 | 0.76 | CYP19A1 (0.42) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL17281530 | 0.76 | CYP19A1 (0.50) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL8984845 | 0.75 | CYP19A1 (0.53) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| SCHEMBL14422659 | 0.74 | EPHX1 (0.48) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 | |
| Phosphoric Acid SCHEMBL31078044 | 0.74 | CYP19A1 (0.38) | CYP19A1EPHX1L3MBTL1CYP2C19CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |