Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PEPD | P12955 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 7/20 | 0.39 |
| ▸ | XPNPEP1 | Q9NQW7 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | STAT6 | P42226 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8246140 | 0.90 | FKBP1A (0.42) | FKBP1AACEACE2ELANESTAT6 | |
| SCHEMBL8201750 | 0.85 | PEPD (0.42) | PEPDFKBP1AXPNPEP1KLK5ALDH1A1 | |
| SCHEMBL8227277 | 0.84 | PEPD (0.43) | PEPDFKBP1AXPNPEP1KLK5CYP3A4 | |
| SCHEMBL13703334 | 0.83 | VHL (0.40) | PEPDALDH1A1 | |
| SCHEMBL8221483 | 0.82 | PRCP (0.42) | PEPDFKBP1AXPNPEP1ACEACE2 | |
| SCHEMBL12055223 | 0.81 | PEPD (0.49) | PEPDFKBP1AXPNPEP1KLK5ELANE | |
| SCHEMBL8002433 | 0.80 | VHL (0.40) | PEPDALDH1A1 | |
| SCHEMBL8046113 | 0.78 | KLK5 (0.51) | PEPDFKBP1AXPNPEP1ACEKLK5 | |
| SCHEMBL14202917 | 0.78 | KLK5 (0.51) | PEPDFKBP1AXPNPEP1ACEKLK5 | |
| SCHEMBL3306346 | 0.76 | MMP2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| WO-2008057209-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |