Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2990401 | 0.82 | CHRNB2 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL2990400 | 0.82 | CHRNB2 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL9298694 | 0.82 | TSHR (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL9298692 | 0.82 | TSHR (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL9419754 | 0.77 | HCAR2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9448664 | 0.77 | HCAR2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL21232967 | 0.74 | — | — | |
| SCHEMBL29927211 | 0.72 | GRIK1 (0.31) | MAPT | |
| SCHEMBL2927808 | 0.69 | — | — | |
| Toluene SCHEMBL28401481 | 0.69 | GLA (0.38) | MAPT |
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-114957060-A | Synthetic method of 6-ethylthio-3-hepten-2-one | 宁夏一帆生物科技有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-114957060-A | Synthetic method of 6-ethylthio-3-hepten-2-one | 宁夏一帆生物科技有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-114957060-A | Synthetic method of 6-ethylthio-3-hepten-2-one | 宁夏一帆生物科技有限公司 | 2022-08-30 | — | — | CN | disclosed |