Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19295886 | 1.00 | PTGS2 (0.50) | PTGS2SMN1; SMN2HTTHSD11B1TSHR | |
| SCHEMBL15062217 | 0.84 | SMN1; SMN2 (0.52) | SMN1; SMN2HTTHSD11B1TSHRALDH1A1 | |
| SCHEMBL9732594 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTHSD11B1TSHRALDH1A1 | |
| SCHEMBL19056598 | 0.79 | HSD11B1 (0.46) | SMN1; SMN2HTTHSD11B1ALDH1A1KMT2A | |
| SCHEMBL19056597 | 0.79 | HSD11B1 (0.46) | SMN1; SMN2HTTHSD11B1ALDH1A1KMT2A | |
| SCHEMBL11538451 | 0.77 | PTGS2 (0.47) | PTGS2TSHRCYP2C19NPSR1L3MBTL1 | |
| SCHEMBL11538453 | 0.77 | PTGS2 (0.47) | PTGS2TSHRCYP2C19NPSR1L3MBTL1 | |
| SCHEMBL5469289 | 0.75 | SMN1; SMN2 (0.52) | SMN1; SMN2HTTHSD11B1TSHRALDH1A1 | |
| SCHEMBL19295891 | 0.75 | KMT2A (0.42) | SMN1; SMN2HTTHSD11B1TSHRALDH1A1 | |
| SCHEMBL3245447 | 0.73 | SMN1; SMN2 (0.53) | SMN1; SMN2HTTHSD11B1TSHRALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047102-B | 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2019-06-07 | — | — | CN | claimed |
| CN-108047102-A | 1- phenyl -2-（Benzene sulfuryl）Methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2018-05-18 | — | — | CN | claimed |
| CN-108047102-B | 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-108047102-B | 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-108047102-B | 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-108047102-A | 1- phenyl -2-（Benzene sulfuryl）Methyl -2- propylene -1- ketone, derivative and its synthetic method | 湘潭大学 | 2018-05-18 | — | — | CN | disclosed |