Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.38 |
| ▸ | CKS1B | P61024 | 2/20 | 0.38 |
| ▸ | SKP1 | P63208 | 2/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1156945 | 0.90 | TAAR1 (0.39) | CA1CA2TAAR1IDO1 | |
| SCHEMBL1156666 | 0.82 | HTR2C (0.39) | NR1H2 | |
| SCHEMBL27744055 | 0.80 | AKT1 (0.40) | GNRHRAKT1NR1H2CKS1BSKP1 | |
| SCHEMBL1156965 | 0.79 | GAA (0.47) | CA1CA2NAMPT | |
| SCHEMBL1156943 | 0.77 | CHRM1 (0.37) | — | |
| SCHEMBL1156667 | 0.77 | CHRM1 (0.35) | — | |
| SCHEMBL1157091 | 0.76 | NAMPT (0.39) | CA1CA2NAMPTTAAR1IDO1 | |
| 2-Chloropyridine SCHEMBL27723253 | 0.75 | AKT1 (0.39) | GNRHRAKT1NR1H2CKS1BSKP1 | |
| SCHEMBL4793290 | 0.72 | CHRM1 (0.32) | — | |
| SCHEMBL1156602 | 0.72 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2327692-B9 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2014-06-04 | — | — | EP | disclosed |
| EP-2327692-B1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2012-07-18 | — | — | EP | disclosed |
| EP-2327692-A1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2011-06-01 | — | — | EP | disclosed |