Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL63687 | 0.83 | — | — | |
| SCHEMBL23292898 | 0.82 | CYP4F2 (0.44) | CYP4F2CYP4A11GAAABCB11CYP1A2 | |
| SCHEMBL23292904 | 0.78 | HCAR2 (0.35) | PRKCACYP4F2CYP4A11ELANEPOLB | |
| SCHEMBL23293015 | 0.77 | PRKCA (0.43) | PRKCATSHR | |
| SCHEMBL26945317 | 0.75 | TSHR (0.41) | PRKCACYP3A4TSHR | |
| SCHEMBL23292981 | 0.75 | ALDH1A1 (0.47) | CYP4F2CYP4A11CYP1A2TSHR | |
| SCHEMBL23292978 | 0.73 | DGAT1 (0.46) | ELANE | |
| SCHEMBL2568905 | 0.72 | PRKCA (0.40) | PRKCACYP4F2CYP4A11 | |
| SCHEMBL15429216 | 0.72 | PRKCA (0.40) | PRKCACYP4F2CYP4A11 | |
| SCHEMBL23293010 | 0.70 | TSHR (0.38) | PRKCAELANECYP1A2CYP3A4TSHR |
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-3816149-B1 | ISOBUTYRIC ESTER COMPOUND HAVING AN ISOBUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ALPHA POSITION, AND PERFUME COMPOSITION | MITSUBISHI GAS CHEMICAL CO (JP) | 2022-04-27 | — | — | EP | disclosed |