Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7524335 | 0.88 | BACE1 (0.50) | BACE1CTSDBACE2ALDH1A1 | |
| SCHEMBL13722769 | 0.87 | BACE1 (0.34) | BACE1CTSDBACE2ALDH1A1 | |
| SCHEMBL7524320 | 0.86 | BACE1 (0.41) | BACE1CTSDBACE2ALDH1A1 | |
| SCHEMBL8266828 | 0.85 | BACE1 (0.44) | BACE1CTSDBACE2 | |
| SCHEMBL7531630 | 0.85 | BACE1 (0.56) | BACE1CTSDBACE2 | |
| SCHEMBL7526262 | 0.84 | BACE1 (0.49) | BACE1 | |
| SCHEMBL14923270 | 0.83 | BACE1 (0.34) | BACE1CTSDBACE2ALDH1A1 | |
| SCHEMBL8290200 | 0.82 | BACE1 (0.40) | BACE1CTSDBACE2 | |
| SCHEMBL7531592 | 0.82 | BACE1 (0.53) | BACE1CTSDBACE2 | |
| SCHEMBL7526245 | 0.82 | BACE1 (0.43) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |
| EP-2335701-B1 | Heterocyclic aspartyl protease inhibitors | SCHERING CORP (US) | 2012-07-11 | — | — | EP | disclosed |
| EP-2343069-A1 | Heterocyclic aspartyl protease inhibitors | Schering Corporation (US) | 2011-07-13 | — | — | EP | disclosed |
| EP-2335701-A1 | Heterocyclic aspartyl protease inhibitors | Schering Corporation (US) | 2011-06-22 | — | — | EP | disclosed |
| EP-2153832-A2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |