Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ATP4A | P20648 | 2/20 | 0.38 |
| ▸ | ATP4B | P51164 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20219328 | 0.83 | ATP4A (0.39) | NOS1CACNA1BPPARGPPARDPPARA | |
| SCHEMBL20219750 | 0.83 | ALDH1A1 (0.46) | CACNA1BCYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL15470033 | 0.82 | TLR8 (0.48) | ATP4AATP4BTLR8TLR7 | |
| SCHEMBL23472560 | 0.82 | CYP3A4 (0.46) | CYP2D6CYP3A4TLR8TLR7TSHR | |
| SCHEMBL20219267 | 0.76 | TLR7 (0.44) | CYP3A4TLR8TLR7TSHRCYP1A2 | |
| SCHEMBL20219358 | 0.74 | CYP3A4 (0.41) | CYP2D6CYP3A4TLR8TLR7TSHR | |
| SCHEMBL23472702 | 0.74 | CCNB2 (0.35) | CYP3A4TLR8TLR7TSHRCYP1A2 | |
| SCHEMBL12409185 | 0.74 | CHRNB2 (0.54) | NOS1PPARACYP2D6CYP3A4ATP4A | |
| SCHEMBL23472065 | 0.73 | TLR8 (0.43) | CYP3A4TLR8TLR7CYP1A2CYP2C19 | |
| SCHEMBL23472599 | 0.71 | CYP1A2 (0.44) | CYP2D6CYP3A4TLR8TLR7TSHR |
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-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |