Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL2405241 | 0.84 | NAAA (0.52) | HCAR2ALDH1A1LMNADGKATSHR | |
| SCHEMBL6008109 | 0.82 | CYP4F2 (0.41) | CYP4F2CYP4A11ALDH1A1TSHRABCB11 | |
| SCHEMBL445726 | 0.81 | CYP4F2 (0.47) | CYP4F2CYP4A11ALDH1A1LMNATSHR | |
| SCHEMBL8990561 | 0.80 | ABCB11 (0.33) | CYP4F2CYP4A11TSHRABCB11CYP1A2 | |
| SCHEMBL27646166 | 0.80 | CYP4F2 (0.47) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL27625713 | 0.80 | HCAR2 (0.36) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL23292904 | 0.78 | HCAR2 (0.35) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL17466212 | 0.78 | HCAR2 (0.35) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL23293567 | 0.78 | ALDH1A1 (0.40) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL204763 | 0.78 | POLB (0.44) | HCAR2CYP4F2CYP4A11ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3816269-A1 | FRAGRANCE MATERIAL COMPOSITION CONTAINING ?-METHOXYISOBUTYRIC ACID ESTER COMPOUND, AND USE AS FRAGRANCE MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-05-05 | — | — | EP | disclosed |
| CN-112313318-A | Fragrance composition comprising an alpha-methoxyisobutyrate compound and use as fragrance | 三菱瓦斯化学株式会社 | 2021-02-02 | — | — | CN | disclosed |
| CN-1766733-A | Phototonus resin composition, spacer for display panel and display panel | JSR CORP (JP) | 2006-05-03 | — | — | CN | disclosed |