Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 10/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 8/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL20219563 | 0.86 | TLR8 (0.36) | CYP1A2TLR7TLR8L3MBTL1KDM4E | |
| SCHEMBL15470372 | 0.85 | L3MBTL1 (0.48) | CYP1A2CYP2D6TLR7TLR8L3MBTL1 | |
| SCHEMBL23472634 | 0.80 | ALDH1A1 (0.35) | CYP1A2TLR7TLR8L3MBTL1KDM4E | |
| SCHEMBL20219679 | 0.74 | TLR8 (0.40) | CYP1A2CYP2D6TLR7TLR8L3MBTL1 | |
| SCHEMBL20219391 | 0.72 | TLR8 (0.35) | TLR7TLR8L3MBTL1KDM4ENPSR1 | |
| SCHEMBL15470366 | 0.72 | L3MBTL1 (0.49) | CYP1A2CYP2D6TLR7TLR8L3MBTL1 | |
| SCHEMBL20219475 | 0.72 | L3MBTL1 (0.49) | CYP1A2CYP2D6TLR7TLR8L3MBTL1 | |
| SCHEMBL23472627 | 0.71 | TLR7 (0.42) | CYP1A2CYP2D6TLR7TLR8L3MBTL1 | |
| SCHEMBL23472639 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2D6TLR7TLR8KDM4E | |
| SCHEMBL23472550 | 0.71 | LMNA (0.41) | TLR7TLR8L3MBTL1ALDH1A1POLB |
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 |