Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 15/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.46 |
| ▸ | TSHR | P16473 | 8/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 8/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20219430 | 0.83 | TLR7 (0.42) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL20219358 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL15470024 | 0.82 | TLR7 (0.51) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| SCHEMBL20219756 | 0.82 | NOS1 (0.39) | CYP3A4CYP2C19CYP2D6CYP1A2TSHR | |
| SCHEMBL20219428 | 0.80 | TLR7 (0.40) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL20219660 | 0.77 | TLR7 (0.49) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL20219387 | 0.74 | CYP1A2 (0.45) | CYP3A4CYP2D6CYP1A2TLR8TLR7 | |
| SCHEMBL20219267 | 0.74 | TLR7 (0.44) | CYP3A4CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL23472702 | 0.74 | CCNB2 (0.35) | CYP3A4CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL23472599 | 0.74 | CYP1A2 (0.44) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 |
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 |