Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | APP | P05067 | 5/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 6/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2230602 | 0.85 | MAPT (0.44) | ESR1APP | |
| SCHEMBL13581749 | 0.82 | ESR1 (0.52) | ESR1 | |
| SCHEMBL2354427 | 0.82 | ESR1 (0.52) | ESR1 | |
| SCHEMBL28368058 | 0.79 | APP (0.52) | ESR1APPAKR1B10AKR1B1ATM | |
| SCHEMBL27463292 | 0.79 | APP (0.52) | ESR1APPAKR1B10AKR1B1ATM | |
| SCHEMBL9820613 | 0.79 | APP (0.57) | ESR1APPAKR1B10AKR1B1 | |
| SCHEMBL2232050 | 0.79 | APP (0.47) | ESR1APPAKR1B10AKR1B1 | |
| SCHEMBL2232047 | 0.79 | APP (0.47) | ESR1APPAKR1B10AKR1B1 | |
| SCHEMBL2233144 | 0.78 | ALOX5 (0.47) | — | |
| SCHEMBL14289647 | 0.78 | ESR1 (0.56) | ESR1APPATM |
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 |