Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472508 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP3A4UTS2RHTR1AADRA1D | |
| SCHEMBL15470115 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP3A4TLR8TLR7CYP2D6 | |
| SCHEMBL23472639 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP3A4UTS2RHTR1AADRA1D | |
| SCHEMBL20219420 | 0.69 | CALM1 (0.35) | TLR8 | |
| SCHEMBL13194973 | 0.65 | CYP1A2 (0.69) | CYP1A2CYP3A4TLR8TLR7CYP2D6 | |
| SCHEMBL20219322 | 0.64 | CYP1A2 (0.42) | CYP1A2CYP3A4UTS2RHTR1AADRA1D | |
| SCHEMBL20219395 | 0.64 | TLR8 (0.50) | CYP1A2CYP3A4TLR8TLR7CYP2D6 | |
| SCHEMBL6173269 | 0.63 | CHRM2 (0.70) | CYP1A2CYP3A4UTS2RHTR1AADRA1D | |
| SCHEMBL13195711 | 0.63 | TLR8 (0.50) | CYP1A2CYP3A4TLR8TLR7CYP2D6 | |
| SCHEMBL8497269 | 0.63 | PLAU (0.43) | ALDH1A1KDM4EMEN1KMT2AHTT |
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 |