Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | CES2 | O00748 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 6/20 | 0.32 |
| ▸ | PPARD | Q03181 | 6/20 | 0.32 |
| ▸ | PPARA | Q07869 | 6/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | TLR2 | O60603 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469194 | 0.94 | CES2 (0.43) | CES1CES2ALDH1A1AKR1B1PPARG | |
| SCHEMBL17468852 | 0.92 | CES2 (0.45) | CES1CES2ALDH1A1PPARGPPARD | |
| SCHEMBL17468975 | 0.92 | CES2 (0.45) | CES1CES2ALDH1A1PPARGPPARD | |
| SCHEMBL17468812 | 0.87 | CES1 (0.36) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL17469189 | 0.79 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1782626 | 0.78 | CES1 (0.48) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1782624 | 0.78 | CES1 (0.48) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL15482476 | 0.77 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL15482667 | 0.77 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL15482796 | 0.76 | KDM1A (0.37) | CES1CES2ALDH1A1TP53CA1 |
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 |