Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13697058 | 0.81 | ESR1 (0.42) | ESR1ESR2GPR84ALDH1A1MAPT | |
| SCHEMBL13162138 | 0.80 | ESR1 (0.40) | ESR1ESR2GPR84ALDH1A1CYP11B1 | |
| SCHEMBL9914783 | 0.80 | HDAC4 (0.42) | ESR1ESR2GPR84HSD17B1HSD17B2 | |
| SCHEMBL13697077 | 0.79 | HSD17B1 (0.44) | ESR1ESR2GPR84ALDH1A1CYP11B1 | |
| SCHEMBL13697062 | 0.79 | HSD17B1 (0.44) | ESR1ESR2GPR84ALDH1A1CYP11B1 | |
| SCHEMBL16521366 | 0.79 | ESR1 (0.42) | ESR1ESR2GPR84ALDH1A1CYP11B1 | |
| SCHEMBL13697061 | 0.78 | ESR1 (0.43) | ESR1ESR2ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL13162155 | 0.77 | ESR1 (0.39) | ESR1ESR2GPR84ALDH1A1CYP11B1 | |
| SCHEMBL14445690 | 0.77 | ESR1 (0.39) | ESR1ESR2GPR84ALDH1A1MAPT | |
| SCHEMBL13697103 | 0.76 | ESR1 (0.44) | ESR1ESR2ALDH1A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020040434-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |