Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29586642 | 0.79 | L3MBTL1 (0.53) | ESR2MAPTALOX15ALOX12ACLY | |
| SCHEMBL27505789 | 0.77 | ESR2 (0.50) | ESR2HSD17B1HSD17B2ALOX5MAPK1 | |
| SCHEMBL16296886 | 0.77 | ESR2 (0.60) | ESR2HSD17B1HSD17B2TAAR1ALOX5 | |
| SCHEMBL29586685 | 0.76 | HDAC4 (0.50) | MAPTACLY | |
| SCHEMBL31339476 | 0.74 | TAAR1 (0.45) | ESR2HSD17B1HSD17B2TAAR1RELA | |
| SCHEMBL16720084 | 0.73 | ESR2 (0.43) | ESR2HSD17B1HSD17B2TAAR1MAPT | |
| SCHEMBL13290004 | 0.72 | ESR2 (0.53) | ESR2HSD17B1HSD17B2TAAR1MAPT | |
| SCHEMBL2933328 | 0.71 | TAAR1 (0.48) | ESR2HSD17B1HSD17B2TAAR1MAPT | |
| SCHEMBL27561397 | 0.71 | ESR2 (0.48) | ESR2HSD17B1HSD17B2TAAR1NQO2 | |
| SCHEMBL31067060 | 0.71 | TAAR1 (0.42) | ESR2HSD17B1HSD17B2TAAR1NT5E |
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-114478337-A | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2022-05-13 | — | — | CN | disclosed |