Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16465631 | 0.81 | PRKDC (0.44) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL16466175 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL16466177 | 0.71 | RECQL (0.40) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL31274481 | 0.69 | NQO2 (0.32) | — | |
| SCHEMBL16464545 | 0.65 | PDE4A (0.38) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL25272181 | 0.64 | GPBAR1 (0.33) | — | |
| SCHEMBL25209469 | 0.63 | KDM4E (0.39) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL895785 | 0.62 | ALDH1A1 (0.49) | ALDH1A1 | |
| SCHEMBL31607063 | 0.61 | PRKDC (0.64) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL29102892 | 0.60 | ALDH1A1 (0.32) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |