Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8202597 | 1.00 | BACE1 (0.36) | BACE1BACE2PGRALDH1A1GSK3A | |
| SCHEMBL13055205 | 1.00 | BACE1 (0.36) | BACE1BACE2PGRALDH1A1GSK3A | |
| SCHEMBL7558336 | 0.90 | BACE1 (0.35) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL13054464 | 0.90 | BACE1 (0.35) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL7557016 | 0.90 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL13054247 | 0.90 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL14105172 | 0.89 | AR (0.31) | — | |
| SCHEMBL7574530 | 0.89 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL13054721 | 0.89 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL7582473 | 0.88 | BACE1 (0.32) | 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 2 patents. 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 |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |