Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 3/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | PRKACA | P17612 | 3/20 | 0.41 |
| ▸ | CLK2 | P49760 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.41 |
| ▸ | PRKCG | P05129 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30136907 | 0.86 | PDK4 (0.59) | GRM5GRM1PDK4CDK9PDE10A | |
| SCHEMBL16836014 | 0.86 | PDK4 (0.59) | GRM5GRM1PDK4CDK9PDE10A | |
| Hydrochloric Acid SCHEMBL31025163 | 0.85 | PDK4 (0.58) | GRM5GRM1PDK4CDK9PDE10A | |
| SCHEMBL15286283 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2GRM5GRM1CHEK1 | |
| SCHEMBL17363102 | 0.80 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2CHEK1MAP4K4PIM1 | |
| SCHEMBL2640481 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2GRM5GRM1CHEK1 | |
| SCHEMBL25571346 | 0.79 | PDK4 (0.45) | GRM5GRM1PDK4CDK9PDE10A | |
| SCHEMBL17397683 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2PDK4CHEK1MAP4K4 | |
| SCHEMBL16992066 | 0.79 | PDE10A (0.46) | ALDH1A1SMN1; SMN2PDK4CHEK1MAP4K4 | |
| SCHEMBL22328949 | 0.76 | GRM5 (0.59) | GRM5GRM1PDK4PDE10AJAK1 |
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-3083633-A1 | SPIRO-OXAZOLONES | F.HOFFMANN-LA ROCHE AG (CH) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015091411-A1 | SPIRO-OXAZOLONES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-25 | — | — | WO | disclosed |