Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15470272 | 1.00 | KCNH2 (0.45) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL23472473 | 0.94 | KCNH2 (0.46) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL20219689 | 0.94 | KCNH2 (0.46) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL15470251 | 0.94 | KCNH2 (0.46) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL20386630 | 0.93 | TLR7 (0.42) | KCNH2TLR7TLR8 | |
| SCHEMBL15470301 | 0.93 | TLR7 (0.42) | KCNH2TLR7TLR8 | |
| SCHEMBL19269062 | 0.93 | KCNH2 (0.37) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL20386621 | 0.91 | KCNH2 (0.34) | KCNH2CYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL20219542 | 0.88 | TLR8 (0.43) | KCNH2TLR7TLR8 | |
| SCHEMBL15470288 | 0.88 | TLR8 (0.43) | KCNH2TLR7TLR8 |
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-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |