Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 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 | |
|---|---|---|---|---|
| SCHEMBL13194973 | 0.85 | CYP1A2 (0.69) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL20219295 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP3A4TLR7TLR8STK17A | |
| SCHEMBL19274238 | 0.82 | CYP3A4 (0.52) | CYP1A2CYP3A4TLR7TLR8DHFR | |
| SCHEMBL19274225 | 0.78 | CYP3A4 (0.47) | CYP1A2CYP3A4TLR7TLR8DHFR | |
| SCHEMBL20386804 | 0.76 | TLR7 (0.67) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL23472319 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL20413258 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL15470317 | 0.76 | TLR7 (0.56) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL15470284 | 0.76 | TLR7 (0.56) | CYP1A2CYP3A4TLR7TLR8 | |
| SCHEMBL20219348 | 0.76 | TLR7 (0.56) | CYP1A2CYP3A4TLR7TLR8 |
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-2694484-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UC (IE) | 2018-07-18 | — | — | EP | disclosed |