Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 9/20 | 0.40 |
| ▸ | SLC16A1 | P53985 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4132130 | 0.83 | SLC16A3 (0.38) | SLC16A3SLC16A1ALDH1A1CTSAPDE4B | |
| SCHEMBL3709000 | 0.83 | SLC16A3 (0.37) | SLC16A3SLC16A1PDE4BNPC1HPGD | |
| SCHEMBL3707729 | 0.83 | SLC16A3 (0.46) | SLC16A3SLC16A1PDE4BNPC1HPGD | |
| SCHEMBL4132125 | 0.81 | SLC16A3 (0.40) | SLC16A3SLC16A1ALDH1A1CTSAPDE4B | |
| SCHEMBL3695878 | 0.79 | PDE4B (0.46) | ALDH1A1PDE4BNPC1HPGDRAB9A | |
| SCHEMBL3700573 | 0.79 | SLC16A3 (0.39) | SLC16A3SLC16A1ALDH1A1CTSABRAF | |
| SCHEMBL3700575 | 0.79 | SLC16A3 (0.40) | SLC16A3SLC16A1ALDH1A1CTSAPDE4B | |
| SCHEMBL3700571 | 0.78 | HTR2C (0.47) | SLC16A3SLC16A1ALDH1A1BRAF | |
| SCHEMBL4126088 | 0.77 | ALDH1A1 (0.35) | SLC16A3SLC16A1ALDH1A1CTSAPDE4B | |
| SCHEMBL3707175 | 0.73 | SLC6A9 (0.33) | TOP2ATOP2B |
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 |