Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472382 | 0.89 | TLR8 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472267 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472141 | 0.86 | SMN1; SMN2 (0.50) | TSHRMAPTMAPK1SMN1; SMN2LMNA | |
| SCHEMBL15470052 | 0.83 | TLR7 (0.54) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL23472249 | 0.82 | PDE5A (0.40) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL20219267 | 0.82 | TLR7 (0.44) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL23472065 | 0.81 | TLR8 (0.43) | CYP1A2CYP3A4CYP2C19ALDH1A1MAPT | |
| SCHEMBL20219660 | 0.80 | TLR7 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472214 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472276 | 0.80 | TLR7 (0.37) | TSHRALDH1A1MAPTMAPK1HPGD |
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 2 patents. 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 |
| EP-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |