Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.36 |
| ▸ | PIM1 | P11309 | 3/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 9/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | STK3 | Q13188 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011595 | 0.89 | PDE2A (0.36) | PDE2AGRM5STK3LRRK2STK26 | |
| SCHEMBL2012161 | 0.78 | GRM5 (0.32) | GRM5DGAT2STK3LRRK2STK26 | |
| SCHEMBL259848 | 0.67 | SMPD3 (0.54) | KDM4EALDH1A1 | |
| SCHEMBL2011598 | 0.67 | GRM5 (0.34) | GRM5STK3LRRK2STK26KDM4E | |
| SCHEMBL1991789 | 0.61 | GRM5 (0.49) | GRM5STK3LRRK2KDM4EALDH1A1 | |
| SCHEMBL30413537 | 0.60 | TLR9 (0.45) | KDM4EALDH1A1 | |
| SCHEMBL3348434 | 0.59 | GRM5 (0.54) | GRM5 | |
| SCHEMBL6313999 | 0.57 | GRM5 (0.41) | GRM5 | |
| SCHEMBL27702476 | 0.57 | GPBAR1 (0.39) | GRM5KDM4E | |
| SCHEMBL16989206 | 0.56 | GRM5 (0.48) | GRM5 |
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-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |