Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29066838 | 0.87 | ALDH1A1 (0.60) | ALDH1A1RECQLCYP4F2CYP4A11LTA4H | |
| SCHEMBL4167946 | 0.84 | LTA4H (0.59) | ALDH1A1RECQLCYP4F2CYP4A11LTA4H | |
| SCHEMBL1594868 | 0.84 | ALDH1A1 (0.55) | ALDH1A1RECQLLTA4HEPHX2MEN1 | |
| Phenoxyethanol SCHEMBL6574314 | 0.82 | RECQL (0.79) | ALDH1A1RECQLCYP4F2CYP4A11LTA4H | |
| Benzyl Alcohol SCHEMBL7782765 | 0.82 | TSHR (0.58) | ALDH1A1RECQLCYP4F2CYP4A11LTA4H | |
| SCHEMBL4162422 | 0.81 | LTA4H (0.52) | ALDH1A1RECQLLTA4HEPHX2TDP1 | |
| Phenoxyethanol SCHEMBL28253776 | 0.80 | RECQL (0.76) | ALDH1A1RECQLCYP4F2CYP4A11LTA4H | |
| Triethylene Glycol SCHEMBL18049849 | 0.80 | ALDH1A1 (0.83) | ALDH1A1RECQLMEN1USP2LMNA | |
| SCHEMBL607698 | 0.80 | TSHR (0.58) | ALDH1A1RECQLLTA4HTDP1MEN1 | |
| SCHEMBL599527 | 0.80 | TSHR (0.58) | ALDH1A1RECQLLTA4HTDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113692552-B | Optical material | 三井化学株式会社 | 2023-07-21 | — | — | CN | disclosed |