Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.35 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12303356 | 0.91 | KCNH2 (0.67) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12303358 | 0.89 | KCNH2 (0.64) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12303841 | 0.87 | KCNH2 (0.62) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12304384 | 0.83 | KCNH2 (0.79) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12304393 | 0.80 | KCNH2 (0.73) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12303712 | 0.77 | KCNH2 (0.74) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12303380 | 0.74 | CYP2C19 (0.81) | KCNH2CYP2C19CYP3A4CYP2C9NR3C1 | |
| SCHEMBL12303697 | 0.72 | KCNH2 (0.67) | KCNH2CYP2C19P2RY1CYP3A4CYP2C9 | |
| SCHEMBL12303381 | 0.71 | CYP2C19 (0.67) | KCNH2CYP2C19CYP3A4CYP2C9NR3C1 | |
| SCHEMBL12303791 | 0.71 | CYP2C19 (0.64) | KCNH2CYP2C19CYP3A4CYP2C9NR3C1 |
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-2011032277-A1 | QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | WO | disclosed |