Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838774 | 0.93 | ESR1 (0.38) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| Water SCHEMBL27627259 | 0.81 | ESR1 (0.67) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL294517 | 0.79 | ESR1 (0.54) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL24702 | 0.79 | TSHR (0.35) | ALDH1A1MAPK1TAAR1ALOX15HPGD | |
| SCHEMBL35881 | 0.78 | ESR1 (0.70) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL14910456 | 0.78 | ESR1 (0.70) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL11900111 | 0.77 | KCNN4 (0.35) | ALDH1A1MAPK1TSHRKCNN4 | |
| SCHEMBL1953140 | 0.77 | ESR1 (0.47) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL127320 | 0.76 | ALDH1A1 (0.32) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL3608833 | 0.76 | ALDH1A1 (0.33) | ALDH1A1MAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109964165-B | Spectacle lens and method for the production thereof, in particular 3D printing method | 卡尔蔡司光学国际有限公司 | 2020-08-11 | — | — | CN | disclosed |
| US-8367288-B2 | Yellow toner | CANON KABUSHIKI KAISHA (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20100273101-A1 | YELLOW TONER | CANON KABUSHIKI KAISHA (JP) | 2010-10-28 | — | — | US | disclosed |