Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | GNRHR | P30968 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744010 | 0.87 | CYP3A4 (0.31) | CYP3A4CYP2C19CYP3A5ERN1NFE2L2 | |
| SCHEMBL27723414 | 0.85 | CYP3A4 (0.33) | CYP3A4CYP2C19CYP3A5 | |
| SCHEMBL27723298 | 0.85 | CYP3A4 (0.30) | CYP3A4CYP2C19CYP3A5 | |
| SCHEMBL27744282 | 0.80 | NFE2L2 (0.33) | CYP3A4CYP2C19CYP3A5NFE2L2GNRHR | |
| SCHEMBL27723314 | 0.78 | CYP3A4 (0.33) | CYP3A4CYP2C19CYP3A5ERN1 | |
| SCHEMBL27743987 | 0.78 | ERN1 (0.32) | CYP3A4CYP2C19CYP3A5ERN1 | |
| SCHEMBL29538386 | 0.78 | CHRNB2 (0.38) | CYP3A4CYP2C19CYP3A5ERN1NFE2L2 | |
| SCHEMBL28558398 | 0.78 | CHRNB2 (0.38) | CYP3A4CYP2C19CYP3A5ERN1NFE2L2 | |
| SCHEMBL27723250 | 0.77 | SMN1; SMN2 (0.35) | CYP3A4CYP2C19CYP3A5ERN1 | |
| SCHEMBL27723316 | 0.76 | KCNA5 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104926790-A | High-purity Vonoprazan Fumarate compound, intermediate and impurity thereof and preparation methods of high-purity Vonoprazan Fumarate compound, intermediate and impurity | JIANGSU AOSAIKANG PHARM CO LTD | 2015-09-23 | — | — | CN | claimed |