Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL726138 | 0.89 | AOC3 (0.44) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL11125287 | 0.83 | ESR1 (0.45) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL4258315 | 0.81 | TAAR1 (0.52) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL4258311 | 0.81 | TAAR1 (0.52) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL13569326 | 0.81 | TAAR1 (0.52) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL27258825 | 0.80 | ESR1 (0.44) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL8750362 | 0.80 | AOC3 (0.39) | CYP2C9TDP1LMNACYP1A2CYP3A4 | |
| SCHEMBL18609120 | 0.79 | ESR1 (0.57) | ESR1CYP2C9TDP1LMNACYP1A2 | |
| SCHEMBL17112356 | 0.78 | AOC3 (0.59) | CYP2D6SLC6A2SLC6A3GRIN1GRIN2B | |
| SCHEMBL8968690 | 0.78 | AOC3 (0.38) | CYP2C9CYP1A2CHRM2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999090-A | Method for separating phenolic compounds from lignin sulfonate depolymerized products | 南亚新材料科技股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-108440257-B | Production process for preparing anethole by catalyzing dehydration of p-methoxyphenylpropanol | 宿迁科思化学有限公司 | 2021-07-09 | — | — | CN | disclosed |