Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8291430 | 0.76 | — | — | |
| SCHEMBL8290345 | 0.76 | — | — | |
| SCHEMBL12608386 | 0.76 | — | — | |
| SCHEMBL8291501 | 0.71 | ADAM17 (0.37) | — | |
| SCHEMBL12855918 | 0.69 | — | — | |
| SCHEMBL13685442 | 0.68 | PPIA (0.32) | — | |
| SCHEMBL12607937 | 0.67 | ADAM17 (0.36) | — | |
| SCHEMBL13685725 | 0.66 | — | — | |
| SCHEMBL8289679 | 0.65 | — | — | |
| SCHEMBL8036092 | 0.65 | THRB (0.31) | — |
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-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |