Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL27723298 | 0.90 | CYP3A4 (0.30) | CYP3A4CYP2C19CYP3A5 | |
| SCHEMBL27723414 | 0.90 | CYP3A4 (0.33) | CYP3A4CYP2C19CYP3A5 | |
| SCHEMBL27723250 | 0.88 | SMN1; SMN2 (0.35) | CYP3A4CYP2C19CYP3A5ERN1 | |
| SCHEMBL27723316 | 0.88 | KCNA5 (0.32) | — | |
| SCHEMBL28031578 | 0.87 | CYP3A4 (0.32) | CYP3A4CYP2C19CYP3A5ERN1NFE2L2 | |
| SCHEMBL27744282 | 0.81 | NFE2L2 (0.33) | CYP3A4CYP2C19CYP3A5NFE2L2GNRHR | |
| SCHEMBL1278270 | 0.78 | CHRNB2 (0.37) | CYP3A4CYP3A5ERN1NFE2L2 | |
| SCHEMBL27744004 | 0.78 | SMN1; SMN2 (0.35) | CYP3A4CYP2C19ERN1 | |
| Fumaric Acid SCHEMBL27723233 | 0.78 | KCNA5 (0.35) | CYP3A4CYP2C19CYP3A5GNRHR | |
| SCHEMBL27723314 | 0.77 | CYP3A4 (0.33) | CYP3A4CYP2C19CYP3A5ERN1 |
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-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |