Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PER2 | O15055 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | RORA | P35398 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | RORB | Q92753 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5504756 | 0.86 | ADORA3 (0.47) | ADORA3ALDH1A1PER2KDM4ERCE1 | |
| SCHEMBL5508801 | 0.68 | ADORA3 (0.83) | ADORA3ALDH1A1KDM4ERCE1PGR | |
| SCHEMBL29868746 | 0.67 | CYP1A2 (0.64) | ALDH1A1KDM4E | |
| SCHEMBL151036 | 0.67 | CYP1A2 (0.64) | ALDH1A1KDM4E | |
| SCHEMBL730877 | 0.67 | ADORA3 (0.58) | ADORA3ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL5511769 | 0.65 | ADORA3 (1.00) | ADORA3ALDH1A1KDM4EPGRRORA | |
| SCHEMBL5513775 | 0.63 | ADORA3 (0.86) | ADORA3ALDH1A1KDM4EPGRRORA | |
| Hydrochloric Acid SCHEMBL5507703 | 0.63 | ADORA3 (0.71) | ADORA3KDM4EPGR | |
| SCHEMBL18539423 | 0.60 | CYP1A2 (0.48) | ALDH1A1PER2KDM4E | |
| SCHEMBL11884498 | 0.60 | ERCC1 (0.62) | ALDH1A1KDM4EPGRLMNAMAPK1 |
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-1863813-A2 | PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006107771-A2 | PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-10-12 | — | — | WO | disclosed |