Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | KRAS | P01116 | 5/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | SPIN1 | Q9Y657 | 1/20 | 0.40 |
| ▸ | WHR1 | P49842 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13975553 | 1.00 | EGFR (0.45) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL13975719 | 0.84 | KCNH2 (0.61) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL13975548 | 0.80 | CYP2D6 (0.61) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL13975095 | 0.79 | KCNH2 (0.62) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL19722984 | 0.79 | KCNH2 (0.47) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL13975829 | 0.78 | TLR7 (0.65) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL20219325 | 0.78 | TRPM8 (0.40) | — | |
| SCHEMBL13195755 | 0.78 | TRPM8 (0.40) | — | |
| SCHEMBL13975547 | 0.77 | CYP2D6 (0.72) | CYP2D6DRD1HTR2AADORA1KCNH2 | |
| SCHEMBL13975847 | 0.75 | KCNH2 (0.74) | CYP2D6DRD1HTR2AADORA1KCNH2 |
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 |