Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 3/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.50 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28278790 | 0.91 | CA2 (0.58) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL92893 | 0.91 | CA2 (0.58) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL28195609 | 0.89 | CA2 (0.52) | PRSS1PRSS2PRSS3CA1CA2 | |
| Bromide SCHEMBL28167961 | 0.89 | CA2 (0.56) | PRSS1PRSS2PRSS3CA1CA2 | |
| Chloroform SCHEMBL28290993 | 0.87 | PRSS1 (0.50) | PRSS1PRSS2PRSS3CA1CA2 | |
| Sulfuric Acid SCHEMBL28325623 | 0.84 | PRSS1 (0.52) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL2376439 | 0.78 | MMP12 (0.49) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL27839467 | 0.78 | PRSS1 (0.47) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL4027787 | 0.75 | CHKA (0.51) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL1134325 | 0.74 | PGR (0.56) | CA1CA2CA9KMT2ATSHR |
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-106957250-B | A kind of bromination process of pair of methylsulfonyltoluene | 湖北君尚科技有限公司 | 2019-04-09 | — | — | CN | disclosed |