Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PARG | Q86W56 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7552395 | 0.90 | BACE1 (0.34) | RORCBACE1PARGALDH1A1 | |
| SCHEMBL8210332 | 0.90 | BACE1 (0.34) | RORCBACE1PARGALDH1A1 | |
| SCHEMBL7589711 | 0.88 | ATR (0.32) | BACE1 | |
| SCHEMBL7584770 | 0.88 | BACE1 (0.32) | BACE1 | |
| SCHEMBL7582435 | 0.88 | BACE1 (0.34) | BACE1ALDH1A1 | |
| SCHEMBL7589796 | 0.85 | ALDH1A1 (0.32) | BACE1ALDH1A1 | |
| SCHEMBL7582359 | 0.84 | PGR (0.36) | BACE1 | |
| SCHEMBL7584411 | 0.83 | KMT2A (0.32) | BACE1ALDH1A1 | |
| SCHEMBL7582050 | 0.83 | — | — | |
| SCHEMBL7584647 | 0.83 | OPRM1 (0.31) | BACE1 |
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-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |