Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 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 | |
|---|---|---|---|---|
| SCHEMBL8289637 | 1.00 | CTSD (0.35) | CTSDGAAPPIA | |
| SCHEMBL8050876 | 0.92 | BACE1 (0.31) | GAA | |
| SCHEMBL8290280 | 0.92 | BACE1 (0.31) | GAA | |
| SCHEMBL8290344 | 0.89 | CTSD (0.41) | CTSDGAA | |
| SCHEMBL8290692 | 0.89 | GAA (0.36) | CTSDGAAPPIA | |
| SCHEMBL13685678 | 0.89 | GAA (0.36) | CTSDGAAPPIA | |
| SCHEMBL12606705 | 0.88 | PLG (0.32) | — | |
| SCHEMBL8291490 | 0.88 | PPIA (0.31) | PPIA | |
| SCHEMBL8289630 | 0.88 | PPIA (0.31) | PPIA | |
| SCHEMBL8290717 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |