Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27710357 | 0.78 | LMNA (0.40) | LMNAPOLBGAACYP3A4CYP2C19 | |
| SCHEMBL23022787 | 0.77 | LMNA (0.48) | CYP1A2LMNAPOLBGAACYP3A4 | |
| SCHEMBL27645050 | 0.75 | LMNA (0.47) | LMNAPOLBGAACYP3A4IRAK4 | |
| SCHEMBL23022736 | 0.75 | LMNA (0.47) | LMNAPOLBGAACYP3A4IRAK4 | |
| SCHEMBL12856424 | 0.74 | IRAK4 (0.37) | CYP1A2LRRK2LMNAPOLBIRAK4 | |
| SCHEMBL30288294 | 0.73 | IRAK4 (0.41) | CYP3A4IRAK4IDH1ALOX5AP | |
| SCHEMBL3329152 | 0.72 | CYP2C19 (0.43) | CYP1A2LRRK2LMNAPOLBGAA | |
| SCHEMBL26861578 | 0.72 | LRRK2 (0.39) | CYP1A2LRRK2LMNAPOLBGAA | |
| SCHEMBL14555389 | 0.72 | LMNA (0.40) | CYP1A2LRRK2LMNAPOLBGAA | |
| SCHEMBL314811 | 0.71 | GAA (0.40) | CYP1A2LMNAPOLBGAACYP3A4 |
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-3822253-A1 | METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND | Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) | 2021-05-19 | — | — | EP | disclosed |