Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.38 |
| ▸ | CES2 | O00748 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL17469045 | 0.79 | CES1 (0.41) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8032482 | 0.74 | POLB (0.55) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8032484 | 0.74 | POLB (0.55) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1782626 | 0.73 | CES1 (0.48) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1782624 | 0.73 | CES1 (0.48) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL17469194 | 0.73 | CES2 (0.43) | CES1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL15482476 | 0.73 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL15482667 | 0.73 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL17468975 | 0.72 | CES2 (0.45) | CES1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL17468852 | 0.72 | CES2 (0.45) | CES1CES2ALDH1A1MEN1KMT2A |
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 |