Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL27744209 | 0.88 | CYP3A4 (0.34) | KCNA5KCNH2VNN1CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL27744074 | 0.85 | CYP3A4 (0.38) | CYP11B2ALPLCYP3A4NAMPT | |
| Hydrochloric Acid SCHEMBL27723305 | 0.84 | EPHX2 (0.38) | KCNA5KCNH2CYP11B1CYP11B2ALDH1A1 | |
| Fumaric Acid SCHEMBL27723435 | 0.83 | KCNA5 (0.33) | KCNA5VNN1CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL27723344 | 0.81 | L3MBTL1 (0.36) | KCNA5KCNH2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1278540 | 0.81 | NAMPT (0.36) | CYP11B1CYP11B2ALPLVNN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27744124 | 0.81 | KCNA5 (0.34) | KCNA5KCNH2CYP1A2CYP3A4 | |
| SCHEMBL27744008 | 0.78 | CHRNB2 (0.36) | CYP11B1CYP11B2ALPLVNN1ALDH1A1 | |
| SCHEMBL27723259 | 0.77 | CYP2C19 (0.36) | CYP2C19 | |
| Fumaric Acid SCHEMBL27723245 | 0.76 | TBXAS1 (0.31) | KCNA5 |
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 |