Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | KCNJ6 | P48051 | 3/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.36 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | RPA1 | P27694 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16516510 | 0.87 | ELANE (0.38) | KCNJ6KCNJ5KCNJ3DHODHKDM4E | |
| SCHEMBL16517435 | 0.82 | PDE4A (0.39) | PDE4AMAP3K14PARP1RPA1GAA | |
| SCHEMBL16532454 | 0.81 | MAP3K14 (0.48) | PDE4APKMYT1MAP3K14GAAGSK3B | |
| SCHEMBL16516399 | 0.80 | RPA1 (0.46) | PDE4AMAP3K14RPA1L3MBTL1 | |
| SCHEMBL16516862 | 0.78 | PDE4A (0.51) | PDE4AMAP3K14KDM4EPARP1RPA1 | |
| SCHEMBL16517235 | 0.75 | TP53 (0.42) | — | |
| SCHEMBL16517584 | 0.73 | PDE4A (0.39) | PDE4AMAP3K14PARP1RPA1GAA | |
| SCHEMBL16532452 | 0.72 | ELANE (0.41) | MAP3K14RPA1GAA | |
| SCHEMBL16532569 | 0.70 | MAP3K14 (0.62) | PDE4AMAP3K14 | |
| SCHEMBL16517797 | 0.70 | RPA1 (0.52) | MAP3K14KDM4ERPA1L3MBTL1AURKA |
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-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |