Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 6/20 | 0.33 |
| ▸ | SLC16A1 | P53985 | 6/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | CTSA | P10619 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SPR | P35270 | 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 | |
|---|---|---|---|---|
| SCHEMBL3700701 | 0.94 | RXRA (0.32) | HTR2AHTR2CKCNH2NAMPTPTGS2 | |
| Fumaric Acid SCHEMBL3695034 | 0.91 | NAMPT (0.30) | NAMPT | |
| SCHEMBL3698589 | 0.91 | ALDH1A1 (0.38) | SLC16A3SLC16A1HTR2AHTR2CKCNH2 | |
| SCHEMBL3698342 | 0.91 | NAMPT (0.31) | NAMPTPTGS2 | |
| SCHEMBL3805211 | 0.90 | TAS2R14 (0.38) | SLC16A3SLC16A1HTR2AHTR2CKCNH2 | |
| SCHEMBL3696613 | 0.90 | SLC16A3 (0.37) | SLC16A3SLC16A1ALDH1A1 | |
| SCHEMBL3703103 | 0.90 | NAMPT (0.33) | ABCC9ABCC8KCNJ11KCNJ8NAMPT | |
| SCHEMBL3808574 | 0.89 | ABCC9 (0.35) | SLC16A3SLC16A1ABCC9ABCC8KCNJ11 | |
| SCHEMBL3688572 | 0.89 | RIPK1 (0.34) | SLC16A3SLC16A1 | |
| SCHEMBL4130428 | 0.87 | SLC16A3 (0.34) | SLC16A3SLC16A1HTR2AHTR2CKCNH2 |
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 |