Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472437 | 0.86 | KMT2A (0.37) | CYP1A2CYP3A4TLR7TLR8STK17A | |
| SCHEMBL23472466 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP3A4TLR7TLR8UTS2R | |
| SCHEMBL15470025 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4TLR7TLR8CYP2D6 | |
| SCHEMBL20219428 | 0.80 | TLR7 (0.40) | CYP1A2CYP3A4TLR7TLR8FLT3 | |
| SCHEMBL23472434 | 0.80 | CYP2D6 (0.40) | CYP1A2CYP3A4TLR7TLR8FLT3 | |
| SCHEMBL23472423 | 0.80 | MEN1 (0.45) | SMN1; SMN2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL23472511 | 0.79 | CHRNB2 (0.43) | CYP1A2CYP3A4TLR7TLR8GBA1 | |
| SCHEMBL23472425 | 0.78 | CASP6 (0.41) | CYP1A2CYP3A4TLR7TLR8UTS2R | |
| SCHEMBL20219702 | 0.78 | ALDH1A1 (0.35) | TLR7TLR8MEN1KMT2AALDH1A1 | |
| SCHEMBL20219444 | 0.77 | TLR7 (0.42) | CYP1A2CYP3A4TLR7TLR8FLT3 |
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 |