Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15633188 | 1.00 | PTGS2 (0.36) | PTGS2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17773649 | 0.85 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15633406 | 0.83 | — | — | |
| SCHEMBL15633519 | 0.81 | — | — | |
| SCHEMBL17151126 | 0.77 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL15633114 | 0.76 | HTR2A (0.32) | PTGS2 | |
| SCHEMBL19004090 | 0.74 | PDE4A (0.41) | PTGS2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16466586 | 0.74 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL25277988 | 0.73 | PDE4A (0.39) | PTGS2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16481518 | 0.72 | GABRB3 (0.36) | — |
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-3656384-B1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME (US) | 2022-02-23 | — | — | EP | disclosed |