Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL351393 | 0.92 | AKR1C1 (0.55) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15912397 | 0.87 | CYP2C19 (0.50) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8110538 | 0.85 | AKR1C1 (0.68) | CYP2C19AKR1C1CYP1A2HSD11B1MEN1 | |
| SCHEMBL1048151 | 0.85 | AKR1C1 (0.68) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3485961 | 0.85 | AKR1C1 (0.62) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17761264 | 0.84 | APP (0.54) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2860893 | 0.83 | AKR1C1 (0.66) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3821416 | 0.83 | AKR1C1 (0.66) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11090558 | 0.80 | CYP2C19 (0.48) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6498800 | 0.80 | OPRM1 (0.53) | CYP2C19AKR1C1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1061410-A | Substituted azole, its preparation method comprises the preparation and the application thereof of substituted azole | HOECHST AG (DE) | 1992-05-27 | — | — | CN | disclosed |
| EP-0485929-A1 | Substituted azoles, process for their preparation and their application | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-20 | — | — | EP | disclosed |