Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 11/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 9/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13195745 | 0.85 | TLR8 (0.48) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL23472412 | 0.84 | MCHR1 (0.48) | CYP1A2CYP2D6TLR8TLR7MCHR1 | |
| SCHEMBL23472527 | 0.82 | TLR8 (0.58) | CYP1A2CYP2D6TLR8TLR7MCHR1 | |
| SCHEMBL23472209 | 0.73 | SMPD1 (0.48) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL15469963 | 0.70 | TLR8 (0.50) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL20219338 | 0.70 | TLR8 (0.50) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL13195744 | 0.70 | TLR8 (0.50) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL15469961 | 0.70 | TLR8 (0.50) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL13195693 | 0.68 | L3MBTL1 (0.50) | TLR8TLR7 | |
| SCHEMBL13195051 | 0.68 | TLR7 (0.68) | CYP1A2CYP2D6TLR8TLR7 |
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 |