Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24378698 | 0.79 | NAAA (0.43) | NAAACYP4F2CYP4A11EPHX1TSHR | |
| SCHEMBL15710993 | 0.76 | CES2 (0.69) | CES2NAAAEPHX2MEN1THRB | |
| SCHEMBL23292884 | 0.73 | ALDH1A1 (0.44) | NAAACYP4F2CYP4A11EPHX1TSHR | |
| SCHEMBL23323159 | 0.72 | — | — | |
| SCHEMBL10026749 | 0.70 | CES2 (0.60) | CES2TSHRMEN1KMT2AFAAH | |
| SCHEMBL332803 | 0.69 | NAAA (0.56) | NAAAEPHX1TSHRFAAH | |
| SCHEMBL17946938 | 0.69 | CES2 (0.55) | CES2NAAAEPHX1PLA2G2CEPHX2 | |
| SCHEMBL23292883 | 0.69 | GRM1 (0.40) | CYP4F2CYP4A11TSHR | |
| SCHEMBL12044642 | 0.69 | CA1 (0.40) | CES2NAAAMEN1KMT2AMAPT | |
| SCHEMBL25881773 | 0.69 | CES2 (0.55) | CES2NAAAPLA2G2CEPHX2TSHR |
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-A1 | ISOBUTYRIC ESTER COMPOUND HAVING BUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ? POSITION, AND PERFUME COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-05-05 | — | — | EP | disclosed |