Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL753308 | 0.86 | CYP19A1 (0.53) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL7061110 | 0.85 | CYP19A1 (0.46) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL7061111 | 0.85 | CYP19A1 (0.46) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL2419961 | 0.84 | CYP19A1 (0.50) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL30051057 | 0.84 | CYP19A1 (0.45) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL4677958 | 0.83 | CYP19A1 (0.44) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL4677963 | 0.83 | CYP19A1 (0.44) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL6520402 | 0.82 | CYP19A1 (0.44) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL22357761 | 0.81 | CYP19A1 (0.49) | CYP19A1EPHX1NAAAL3MBTL1HTT | |
| SCHEMBL7061470 | 0.81 | NAAA (0.45) | CYP19A1EPHX1NAAAL3MBTL1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3816149-B1 | ISOBUTYRIC ESTER COMPOUND HAVING AN ISOBUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ALPHA POSITION, AND PERFUME COMPOSITION | MITSUBISHI GAS CHEMICAL CO (JP) | 2022-04-27 | — | — | EP | disclosed |
| EP-3816149-A1 | ISOBUTYRIC ESTER COMPOUND HAVING BUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ? POSITION, AND PERFUME COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-05-05 | — | — | EP | disclosed |