Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.50 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | BCL6 | P41182 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13194973 | 0.91 | CYP1A2 (0.69) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20386631 | 0.87 | CYP1A2 (0.48) | CYP1A2CYP3A4TLR7TLR8PDE5A | |
| SCHEMBL20386667 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP3A4TLR7TLR8NUDT1 | |
| SCHEMBL19274238 | 0.83 | CYP3A4 (0.52) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL20219460 | 0.82 | TLR7 (0.54) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL23472319 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20413258 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL15470270 | 0.80 | TLR7 (0.68) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL13195815 | 0.79 | TLR7 (0.75) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20219722 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP3A4TLR7TLR8CYP2D6 |
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 |