Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 9/20 | 0.80 |
| ▸ | TTR | P02766 | 1/20 | 0.62 |
| ▸ | DPP4 | P27487 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | MET | P08581 | 2/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14727949 | 0.95 | APP (0.81) | APPTTRDPP4MAOBMET | |
| Butyl Caffeate SCHEMBL1879822 | 0.89 | APP (1.00) | APPTTRDPP4ESR1CYP3A4 | |
| Butyl Caffeate SCHEMBL1879823 | 0.89 | APP (1.00) | APPTTRDPP4ESR1CYP3A4 | |
| SCHEMBL2394177 | 0.87 | TTR (0.80) | APPTTRDPP4MAOBBACE1 | |
| SCHEMBL9289488 | 0.85 | APP (0.66) | APPTTRDPP4METESR1 | |
| SCHEMBL2235002 | 0.85 | APP (0.78) | APPTTRDPP4MAOBMET | |
| SCHEMBL2232401 | 0.85 | APP (0.78) | APPTTRDPP4MAOBMET | |
| SCHEMBL7953562 | 0.85 | APP (1.00) | APPTTRDPP4ESR1CYP3A4 | |
| SCHEMBL28418063 | 0.85 | APP (1.00) | APPTTRDPP4ESR1CYP3A4 | |
| SCHEMBL8614691 | 0.84 | APP (0.76) | APPTTRMAOBMET |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |