Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680952 | 0.84 | EPHX2 (0.43) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL29541717 | 0.84 | EPHX2 (0.43) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL4053851 | 0.81 | EPHX2 (0.67) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL4948481 | 0.81 | SMN1; SMN2 (0.47) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL29541546 | 0.75 | CYP1A2 (0.47) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL6817772 | 0.75 | CYP1A2 (0.47) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL29542034 | 0.73 | EPHX2 (0.44) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL9766850 | 0.72 | CA9 (0.52) | ALDH1A1SLC9A1CYP1A2CA3CA6 | |
| SCHEMBL29541410 | 0.71 | NOTUM (0.41) | EPHX2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL9679859 | 0.70 | NOTUM (0.65) | EPHX2NOTUMKDM4EALDH1A1CYP1A2 |
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-0486782-A1 | Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles | AMERICAN CYANAMID COMPANY (US) | 1992-05-27 | — | — | EP | claimed |
| US-5103015-A | 5-(substituted)isoxazole compounds | AMERICAN CYANAMID COMPANY (US) | 1992-04-07 | — | — | US | claimed |