Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 7/20 | 0.41 |
| ▸ | LGMN | Q99538 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030013 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTL3MBTL1HPGD | |
| SCHEMBL19046100 | 0.85 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2POLBMAPTIRAK4 | |
| SCHEMBL19030384 | 0.79 | IRAK4 (0.50) | IRAK4LGMN | |
| SCHEMBL19030382 | 0.74 | PPARA (0.40) | POLBL3MBTL1 | |
| SCHEMBL19030567 | 0.73 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL19045812 | 0.73 | NPC1 (0.35) | ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL19030268 | 0.71 | IRAK4 (0.49) | IRAK4LGMN | |
| SCHEMBL29502480 | 0.70 | IRAK4 (0.54) | IRAK4 | |
| SCHEMBL19029881 | 0.70 | IRAK4 (0.54) | IRAK4 | |
| SCHEMBL19029933 | 0.69 | IRAK4 (0.47) | IRAK4LGMN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |