Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3700979 | 0.93 | KCNQ3 (0.34) | ALDH1A1THRBMEN1KMT2AKCNQ3 | |
| SCHEMBL3814411 | 0.88 | ALDH1A1 (0.34) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL4130773 | 0.88 | ALDH1A1 (0.37) | ALDH1A1THRBMEN1KMT2AKCNQ3 | |
| SCHEMBL3697103 | 0.87 | PRCP (0.33) | TRPA1HTR2AHTR2CKCNH2TRPM8 | |
| SCHEMBL3697675 | 0.87 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL3696326 | 0.87 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL3700226 | 0.87 | ALDH1A1 (0.33) | ALDH1A1THRBMEN1KMT2AKCNQ3 | |
| SCHEMBL3698589 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL3706787 | 0.86 | CNR1 (0.32) | ALDH1A1THRBMEN1KMT2AKCNQ3 | |
| SCHEMBL3705903 | 0.85 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2AKCNQ3KCNQ2 |
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 |