Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468991 | 0.87 | MDM2 (0.43) | CES2CES1S1PR3S1PR1HPGD | |
| SCHEMBL12469122 | 0.85 | KEAP1 (0.42) | HPGDKMOSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23973484 | 0.83 | APP (0.48) | CES2CES1APPPSEN1PSEN2 | |
| SCHEMBL1280792 | 0.82 | S1PR3 (0.39) | CES2CES1APPPSEN1PSEN2 | |
| SCHEMBL12497587 | 0.78 | CES2 (0.45) | CES2CES1APPPSEN1PSEN2 | |
| SCHEMBL12499078 | 0.78 | CES2 (0.45) | CES2CES1APPPSEN1PSEN2 | |
| SCHEMBL28795492 | 0.75 | HPGD (0.48) | HPGD | |
| SCHEMBL28795451 | 0.75 | HPGD (0.48) | CES2CES1HPGD | |
| SCHEMBL18987936 | 0.75 | MAPT (0.48) | S1PR3HPGDPPARGPPARA | |
| SCHEMBL16877159 | 0.73 | PSEN1 (0.37) | CES2CES1APPPSEN1PSEN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2625170-A1 | 1,4-OXAZEPANE DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012046882-A1 | 1,4-OXAZEPANE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | WO | disclosed |