Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL17773649 | 0.75 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29403057 | 0.74 | PTGS2 (0.36) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15633519 | 0.71 | — | — | |
| SCHEMBL17816256 | 0.70 | SQOR (0.33) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL16466175 | 0.68 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15633114 | 0.67 | HTR2A (0.32) | — | |
| SCHEMBL24457882 | 0.65 | KDM4E (0.39) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22186142 | 0.65 | SQOR (0.38) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL15633785 | 0.64 | NNMT (0.38) | ALDH1A1CYP2C19 | |
| SCHEMBL16454221 | 0.64 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903977-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014058747-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-04-17 | — | — | WO | disclosed |