Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 14/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15502428 | 1.00 | KCNH2 (1.00) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL15502364 | 0.93 | KCNH2 (0.87) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL15502385 | 0.92 | KCNH2 (0.85) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL24384584 | 0.92 | KCNH2 (0.85) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL24384693 | 0.92 | KCNH2 (0.85) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL13975892 | 0.87 | KCNH2 (1.00) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL22959031 | 0.85 | KCNH2 (0.74) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL22959012 | 0.85 | KCNH2 (0.74) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL22958975 | 0.85 | KCNH2 (0.74) | KCNH2CYP2D6TLR8TLR7 | |
| SCHEMBL13975809 | 0.85 | KCNH2 (0.74) | KCNH2CYP2D6TLR8TLR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2709989-B1 | QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES | JANSSEN SCIENCES IRELAND UC (IE) | 2017-12-20 | — | — | EP | disclosed |