Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11905237 | 1.00 | CTSB (0.34) | CTSBLNPEPSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17574493 | 0.80 | CTSB (0.47) | CTSB | |
| SCHEMBL12470651 | 0.79 | CTSB (0.31) | CTSBLNPEP | |
| SCHEMBL11904963 | 0.79 | CTSB (0.31) | CTSBLNPEP | |
| SCHEMBL12470399 | 0.76 | CTSB (0.32) | CTSBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31585119 | 0.71 | HTT (0.34) | — | |
| SCHEMBL996663 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL997457 | 0.69 | CTSB (0.31) | CTSBLNPEP | |
| SCHEMBL5571506 | 0.68 | HSD11B1 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5571511 | 0.68 | HSD11B1 (0.37) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012109398-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS | IDENIX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |