Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL36452 | 0.90 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL27838385 | 0.87 | CYP2A6 (0.46) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL27905829 | 0.87 | CYP2A6 (0.46) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL27922290 | 0.86 | CYP2A6 (0.46) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL536732 | 0.82 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL2463315 | 0.82 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL1178667 | 0.79 | CYP2A6 (0.37) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7409541 | 0.71 | ESR1 (0.61) | CYP1A2ALDH1A1CA1CA2CA9 | |
| SCHEMBL1971137 | 0.71 | ALDH1A1 (0.61) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL15351596 | 0.70 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1TDP1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200041901-A1 | SEMICONDUCTOR RESIST COMPOSITION, AND METHOD OF FORMING PATTERNS USING THE COMPOSITION | SAMSUNG SDI CO., LTD. (KR) | 2020-02-06 | — | — | US | disclosed |
| CN-107108871-B | The manufacturing method of polyester | 日本曹达株式会社 | 2019-04-30 | — | — | CN | disclosed |
| CN-107108871-A | The manufacture method of polyester | 日本曹达株式会社 | 2017-08-29 | — | — | CN | disclosed |