Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALKBH5 | Q6P6C2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1266818 | 0.83 | CYP2C19 (0.39) | CYP2C19TSHRBLMLMNACYP1A2 | |
| SCHEMBL4689732 | 0.79 | CYP2C19 (0.48) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL16150052 | 0.79 | CYP2C19 (0.48) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL6860579 | 0.77 | CYP2C19 (0.45) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL203062 | 0.73 | ALDH1A1 (0.40) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL1876975 | 0.72 | CYP2C19 (0.40) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL4929033 | 0.72 | CYP2C19 (0.40) | CYP2C19PTGS1TSHRBLMLMNA | |
| SCHEMBL19601619 | 0.72 | — | — | |
| SCHEMBL1880137 | 0.72 | — | — | |
| SCHEMBL22098462 | 0.71 | ATM (0.52) | SMN1; SMN2ALDH1A1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11920104-B2 | Ethers and esters of 1-substituted cycloalkanols for use as aroma chemicals | BASF SE (DE) | 2024-03-05 | — | — | US | disclosed |
| US-20210340461-A1 | ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-11-04 | — | — | US | disclosed |
| WO-2020079007-A1 | ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-23 | — | — | WO | disclosed |
| EP-3640234-A1 | ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-04-22 | — | — | EP | disclosed |