Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 9/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472508 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL15470115 | 0.87 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20219450 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20219395 | 0.75 | TLR8 (0.50) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20219722 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL23472656 | 0.74 | CYP2D6 (0.48) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL13195711 | 0.74 | TLR8 (0.50) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL13194973 | 0.73 | CYP1A2 (0.69) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL23472627 | 0.72 | TLR7 (0.42) | CYP1A2TLR7TLR8CYP2D6KDM4E | |
| SCHEMBL23472319 | 0.72 | CYP1A2 (0.57) | 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-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |