Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL17469180 | 0.82 | CES1 (0.38) | CES1ALDH1A1CES2 | |
| SCHEMBL17469185 | 0.78 | PYCR1 (0.32) | — | |
| SCHEMBL17469196 | 0.76 | ALDH1A1 (0.42) | CES1ALDH1A1CES2 | |
| SCHEMBL17469184 | 0.72 | CES1 (0.35) | CES1ALDH1A1CES2 | |
| SCHEMBL15482756 | 0.72 | ALDH1A1 (0.50) | CES1ALDH1A1CES2 | |
| SCHEMBL2182214 | 0.69 | KDM4E (0.54) | CES1ALDH1A1CES2 | |
| SCHEMBL2182219 | 0.69 | KDM4E (0.54) | CES1ALDH1A1CES2 | |
| SCHEMBL13468725 | 0.69 | KDM4E (0.54) | CES1ALDH1A1CES2 | |
| SCHEMBL15482629 | 0.69 | CNR2 (0.40) | CES1ALDH1A1CES2 | |
| SCHEMBL8032484 | 0.68 | POLB (0.55) | CES1ALDH1A1CES2 |
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-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |