Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3703103 | 0.95 | NAMPT (0.33) | NAMPT | |
| SCHEMBL3700610 | 0.94 | SLC16A3 (0.33) | PTGS2NAMPTHTR2AHTR2CKCNH2 | |
| SCHEMBL3697675 | 0.92 | ALDH1A1 (0.35) | RXRAGRIN1GRIN2BSCN9ASCN5A | |
| SCHEMBL3699813 | 0.90 | ABCC9 (0.34) | NAMPT | |
| SCHEMBL3688572 | 0.90 | RIPK1 (0.34) | RXRAGRIN1GRIN2B | |
| SCHEMBL3698342 | 0.88 | NAMPT (0.31) | PTGS2NAMPT | |
| SCHEMBL3696613 | 0.87 | SLC16A3 (0.37) | — | |
| SCHEMBL4125819 | 0.87 | PTGS2 (0.33) | RXRAGRIN1GRIN2BSCN9ASCN5A | |
| SCHEMBL4200027 | 0.87 | MEN1 (0.32) | — | |
| Fumaric Acid SCHEMBL3695034 | 0.86 | NAMPT (0.30) | NAMPT |
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 |