Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 3/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | 0.88 | CYP3A4 (0.31) | ERN1CYP3A4CYP3A5CYP2C19 | |
| SCHEMBL27744004 | 0.88 | SMN1; SMN2 (0.35) | SMN1; SMN2ERN1CFTRSLC6A2SLC6A4 | |
| SCHEMBL27723316 | 0.84 | KCNA5 (0.32) | KCNA5KCNH2 | |
| SCHEMBL27723301 | 0.82 | OPRD1 (0.35) | CYP3A4CYP3A5OPRD1KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL27744063 | 0.81 | KCNA5 (0.34) | CYP3A4CYP3A5OPRD1KCNA5KCNH2 | |
| SCHEMBL27723414 | 0.81 | CYP3A4 (0.33) | CYP3A4CYP3A5CYP2C19 | |
| SCHEMBL27723298 | 0.81 | CYP3A4 (0.30) | CYP3A4CYP3A5KCNN4CYP2C19 | |
| SCHEMBL1278495 | 0.77 | SMN1; SMN2 (0.40) | SMN1; SMN2ERN1CYP3A4CYP3A5CYP2E1 | |
| SCHEMBL27723227 | 0.77 | GLO1 (0.36) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28031578 | 0.77 | CYP3A4 (0.32) | ERN1CYP3A4CYP3A5CYP2C19 |
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 |