Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28227228 | 0.83 | CES2 (0.35) | CES2ALOX15CYP1B1ALDH1A1ESR2 | |
| SCHEMBL1246549 | 0.83 | CES2 (0.52) | CES2ALOX15CYP1B1ALDH1A1ESR2 | |
| SCHEMBL13594586 | 0.80 | CES2 (0.33) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL14647807 | 0.76 | ESR2 (0.47) | CES2ALOX15CYP1B1ALDH1A1ESR2 | |
| SCHEMBL12186319 | 0.76 | ESR2 (0.47) | CES2ALOX15CYP1B1ALDH1A1ESR2 | |
| SCHEMBL12654598 | 0.75 | — | — | |
| SCHEMBL15160132 | 0.75 | — | — | |
| SCHEMBL14724748 | 0.75 | — | — | |
| SCHEMBL14724790 | 0.75 | — | — | |
| SCHEMBL8338090 | 0.74 | CES2 (0.30) | CES2ALOX15CYP1B1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2562167-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |