Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15470039 | 0.86 | TLR7 (0.48) | TLR8TLR7CYP1A2BUB1CYP2D6 | |
| SCHEMBL19269040 | 0.80 | TLR8 (0.40) | TLR8TLR7CYP1A2BUB1MTNR1A | |
| SCHEMBL20219264 | 0.78 | GCK (0.42) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL23472351 | 0.73 | CYP1A2 (0.38) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL23472593 | 0.72 | CYP1A2 (0.43) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL20219466 | 0.72 | TLR7 (0.42) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL20219314 | 0.72 | CYP1A2 (0.39) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL20219322 | 0.70 | CYP1A2 (0.42) | TLR8TLR7CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL23472651 | 0.70 | NPC1 (0.47) | — | |
| SCHEMBL20219579 | 0.70 | NPC1 (0.47) | CYP1A2CYP2D6 |
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 |