Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 20/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL122060 | 1.00 | ELANE (0.68) | ELANECYP2C19CYP2C9 | |
| SCHEMBL121526 | 0.94 | ELANE (0.59) | ELANECYP2C19CYP2C9 | |
| SCHEMBL123276 | 0.93 | ELANE (0.58) | ELANECYP2C19CYP2C9 | |
| SCHEMBL122954 | 0.92 | ELANE (0.66) | ELANECYP2C19CYP2C9 | |
| SCHEMBL123937 | 0.92 | ELANE (0.56) | ELANECYP2C19CYP2C9 | |
| SCHEMBL18086969 | 0.89 | ELANE (0.75) | ELANECYP2C19CYP2C9 | |
| SCHEMBL172094 | 0.89 | ELANE (0.75) | ELANECYP2C19CYP2C9 | |
| SCHEMBL1155479 | 0.89 | ELANE (0.75) | ELANECYP2C19CYP2C9 | |
| SCHEMBL123311 | 0.88 | ELANE (0.57) | ELANECYP2C9 | |
| SCHEMBL122466 | 0.87 | ELANE (0.77) | ELANECYP2C19CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2234985-B1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF | Bayer Pharma AG (DE) | 2012-03-07 | — | — | EP | disclosed |
| EP-2234985-A1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009080199-A1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-02 | — | — | WO | disclosed |