Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469063 | 0.90 | — | — | |
| SCHEMBL15482614 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL17468863 | 0.67 | — | — | |
| SCHEMBL13467947 | 0.66 | CYP2C19 (0.38) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16837858 | 0.65 | ALDH1A1 (0.40) | CYP2C19 | |
| SCHEMBL15482619 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL15312913 | 0.64 | CYP3A4 (0.39) | CYP2C19 | |
| SCHEMBL15482645 | 0.63 | LMNA (0.35) | — | |
| SCHEMBL17469132 | 0.63 | SOAT1 (0.32) | — | |
| SCHEMBL17468871 | 0.62 | — | — |
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 |