Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL13685009 | 1.00 | BACE1 (0.34) | BACE1ELANECCR5 | |
| SCHEMBL13685129 | 0.96 | BACE1 (0.36) | BACE1ELANE | |
| SCHEMBL13685011 | 0.96 | BACE1 (0.36) | BACE1ELANE | |
| SCHEMBL13686171 | 0.96 | BACE1 (0.36) | BACE1ELANE | |
| SCHEMBL13684913 | 0.91 | BACE1 (0.39) | BACE1ELANECCR5 | |
| SCHEMBL13685651 | 0.91 | BACE1 (0.35) | BACE1ELANE | |
| SCHEMBL13685772 | 0.90 | REN (0.35) | BACE1ELANE | |
| SCHEMBL13685780 | 0.90 | REN (0.35) | BACE1ELANE | |
| SCHEMBL13685096 | 0.88 | ELANE (0.33) | BACE1ELANE | |
| SCHEMBL13685202 | 0.88 | ELANE (0.33) | BACE1ELANE |
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-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |