Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL3705487 | 0.93 | CTSD (0.31) | EDNRA | |
| SCHEMBL3697389 | 0.79 | CA1 (0.39) | — | |
| SCHEMBL7344928 | 0.79 | CA1 (0.39) | — | |
| SCHEMBL3700772 | 0.71 | CYP2A6 (0.39) | — | |
| SCHEMBL7637091 | 0.68 | POLB (0.36) | CDC25B | |
| SCHEMBL30912197 | 0.62 | ALDH1A1 (0.41) | CDC25B | |
| SCHEMBL30912198 | 0.61 | CDC25B (0.44) | CDC25B | |
| SCHEMBL7638480 | 0.60 | CYP11B2 (0.35) | CDC25B | |
| SCHEMBL6970430 | 0.58 | CA1 (0.40) | — | |
| SCHEMBL2841100 | 0.58 | CYP2A6 (0.50) | CDC25B |
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-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |