Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 4/20 | 0.34 |
| ▸ | SMO | Q99835 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | IDE | P14735 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4793153 | 0.86 | POLB (0.35) | CHRM5POLBPTGS2TSHRCNR2 | |
| SCHEMBL1581058 | 0.84 | TSHR (0.38) | CYP2A6CHRM5RAPGEF4POLBMET | |
| SCHEMBL4790343 | 0.82 | CYP2E1 (0.39) | CYP2A6CHRM5POLBTSHRCNR2 | |
| SCHEMBL9988642 | 0.81 | TSHR (0.41) | ALDH1A1TSHRIDE | |
| SCHEMBL4793066 | 0.81 | PTGS2 (0.40) | PTGS2 | |
| SCHEMBL4791377 | 0.80 | GBA1 (0.38) | CYP2A6ALDH1A1CNR2 | |
| SCHEMBL1278610 | 0.79 | RIPK1 (0.34) | CHRM5ALDH1A1TSHR | |
| SCHEMBL4792177 | 0.79 | CYP2A6 (0.37) | CYP2A6CHRM5RAPGEF4POLBMET | |
| Fumaric Acid SCHEMBL1278717 | 0.78 | HDAC1 (0.35) | POLBALDH1A1TSHR | |
| Fumaric Acid SCHEMBL1278719 | 0.78 | HDAC1 (0.35) | POLBALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |