Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14944686 | 0.85 | TLR7 (0.33) | — | |
| SCHEMBL14944729 | 0.82 | ALDH1A1 (0.32) | ADORA3ADORA2AALDH1A1 | |
| SCHEMBL14944685 | 0.80 | TLR7 (0.33) | DRD2DRD4DRD3 | |
| SCHEMBL19423858 | 0.79 | CCR5 (0.31) | ALDH1A1 | |
| SCHEMBL14944658 | 0.76 | TLR7 (0.36) | ADORA3ADORA2AALDH1A1MAPTMAPK1 | |
| SCHEMBL20343752 | 0.74 | ADORA2A (0.39) | ADORA3ADORA2AMAPK1 | |
| SCHEMBL14944577 | 0.73 | TLR7 (0.55) | — | |
| SCHEMBL19419442 | 0.73 | ADORA2A (0.49) | DRD2DRD4DRD3ADORA3ADORA2A | |
| SCHEMBL19423898 | 0.71 | GSK3B (0.32) | — | |
| SCHEMBL28852897 | 0.70 | HSP90AA1 (0.40) | ALDH1A1MAPT |
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-2013068438-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN R&D IRELAND (IE) | 2013-05-16 | — | — | WO | disclosed |