Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | USP8 | P40818 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27744282 | 0.87 | NFE2L2 (0.33) | SMN1; SMN2CYP3A4CYP2C19ALDH1A1CYP19A1 | |
| SCHEMBL27723333 | 0.86 | — | — | |
| SCHEMBL27744043 | 0.85 | USP8 (0.30) | USP8 | |
| SCHEMBL27743980 | 0.85 | LMNA (0.38) | SMN1; SMN2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL27723267 | 0.83 | SLC22A12 (0.36) | SLC6A2SLC6A4CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL28944101 | 0.83 | KCNA5 (0.33) | KCNA5KCNH2 | |
| SCHEMBL27723322 | 0.83 | DYRK3 (0.34) | — | |
| SCHEMBL28772931 | 0.83 | — | — | |
| SCHEMBL28772958 | 0.83 | CYP11B1 (0.31) | GLO1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL27864967 | 0.83 | KCNA5 (0.33) | KCNA5KCNH2 |
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 |