Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL16516986 | 0.90 | MAOB (0.38) | MAOBPDE4APTGS2CYP1A2CYP2C9 | |
| SCHEMBL16517324 | 0.88 | MAPK8 (0.41) | MAOBPDE4APTGS2PTGDR2MAPK8 | |
| SCHEMBL16517092 | 0.83 | MAP3K14 (0.40) | MAOBPDE4ASYKKDM4EMAP3K14 | |
| SCHEMBL16532419 | 0.81 | MAP3K14 (0.45) | PDE4ASYKPTGDR2PDE4BAURKA | |
| SCHEMBL16516862 | 0.81 | PDE4A (0.51) | PDE4ASYKKDM4EAURKARPS6KB1 | |
| SCHEMBL16517536 | 0.77 | AURKA (0.38) | PDE4ATYK2KDM4EAURKARPS6KB1 | |
| SCHEMBL16532417 | 0.73 | MAPK8 (0.43) | PDE4APTGDR2MAPK8MAP3K14 | |
| SCHEMBL16517380 | 0.73 | RPA1 (0.40) | MAOBAURKAMAP3K14 | |
| SCHEMBL16517321 | 0.72 | ELANE (0.39) | MAOBCYP1A2KDM4EMAP3K14 | |
| SCHEMBL16516797 | 0.70 | PDE4A (0.44) | PDE4AKDM4EAURKA |
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 |