Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TLR7 | Q9NYK1 | 12/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 9/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13194973 | 0.88 | CYP1A2 (0.69) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL15470115 | 0.85 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL23472319 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL20413258 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL13195687 | 0.80 | L3MBTL1 (0.57) | CYP1A2TLR7TLR8L3MBTL1 | |
| SCHEMBL13195048 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL20219395 | 0.80 | TLR8 (0.50) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL20219295 | 0.79 | CYP1A2 (0.58) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL13195711 | 0.79 | TLR8 (0.50) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 | |
| SCHEMBL15470112 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP3A4TLR7TLR8L3MBTL1 |
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 |