Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27744063 | 0.99 | KCNA5 (0.34) | OPRD1KCNA5KCNH2ALDH1A1CYP3A4 | |
| Fumaric Acid SCHEMBL27723233 | 0.86 | KCNA5 (0.35) | KCNA5CYP3A4CYP2C19CYP3A5TSHR | |
| Fumaric Acid SCHEMBL27744193 | 0.84 | KCNA5 (0.32) | KCNA5 | |
| SCHEMBL27723250 | 0.82 | SMN1; SMN2 (0.35) | OPRD1KCNA5KCNH2ALDH1A1CYP3A4 | |
| Fumaric Acid SCHEMBL27723321 | 0.79 | KCNA5 (0.34) | KCNA5CYP3A4CYP2C19CYP3A5TSHR | |
| SCHEMBL194316 | 0.78 | HTR6 (0.39) | ALDH1A1CYP2C19EPHX2PRMT6CYP2D6 | |
| Hydrochloric Acid SCHEMBL1278272 | 0.77 | HTR6 (0.39) | ALDH1A1CYP2C19EPHX2PRMT6CYP2D6 | |
| SCHEMBL27744004 | 0.76 | SMN1; SMN2 (0.35) | OPRD1KCNA5KCNH2ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27723305 | 0.76 | EPHX2 (0.38) | OPRD1KCNA5KCNH2ALDH1A1CYP3A4 | |
| SCHEMBL27723299 | 0.75 | CHRNB2 (0.41) | CYP2C19CYP2D6CYP2C9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102421753-A | Process for preparing azole compounds | TAKEDA PHARMACEUTICAL | 2012-04-18 | — | — | CN | disclosed |
| 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 |