Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 10/20 | 0.78 |
| ▸ | TTR | P02766 | 2/20 | 0.57 |
| ▸ | DPP4 | P27487 | 1/20 | 0.57 |
| ▸ | MET | P08581 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058724 | 0.89 | APP (0.69) | APPTTRDPP4METCYP3A4 | |
| SCHEMBL6058723 | 0.89 | APP (0.69) | APPTTRDPP4METCYP3A4 | |
| Butyl Caffeate SCHEMBL1879822 | 0.88 | APP (1.00) | APPTTRDPP4CYP3A4ALOX15 | |
| Butyl Caffeate SCHEMBL1879823 | 0.88 | APP (1.00) | APPTTRDPP4CYP3A4ALOX15 | |
| SCHEMBL3886162 | 0.86 | TTR (0.76) | APPTTRDPP4MAOBCYP3A4 | |
| SCHEMBL3886157 | 0.86 | TTR (0.76) | APPTTRDPP4MAOBCYP3A4 | |
| SCHEMBL2233161 | 0.85 | APP (0.80) | APPTTRDPP4METMAOB | |
| SCHEMBL19359002 | 0.84 | APP (0.70) | APPTTRDPP4METALOX5 | |
| SCHEMBL19359001 | 0.84 | APP (0.70) | APPTTRDPP4METALOX5 | |
| SCHEMBL2232401 | 0.84 | APP (0.78) | APPTTRDPP4METMAOB |
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 |