Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 8/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 7/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.37 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10025391 | 0.82 | KLK7 (0.44) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL353104 | 0.82 | KLK7 (0.44) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL12644308 | 0.78 | KLK7 (0.36) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL10386719 | 0.76 | KLK7 (0.51) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL7334611 | 0.76 | KLK7 (0.51) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL10387738 | 0.76 | KLK7 (0.51) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL247530 | 0.74 | KLK7 (0.54) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL8300605 | 0.72 | ATM (0.34) | PARP1THRBSMN1; SMN2 | |
| SCHEMBL12067898 | 0.72 | KLK7 (0.36) | KLK7KLK5PRSS1PRSS2PRSS3 | |
| SCHEMBL15383781 | 0.71 | KLK7 (0.51) | KLK7KLK5PRSS1PRSS2PRSS3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636208-B1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMA (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2004092162-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2004-10-28 | — | — | WO | disclosed |