Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.43 |
| ▸ | OXTR | P30559 | 2/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 5/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12993835 | 1.00 | BACE1 (0.49) | BACE1BACE2OXTRAVPR1AALDH1A1 | |
| SCHEMBL12993778 | 0.94 | BACE1 (0.51) | BACE1BACE2OXTRAVPR1AALDH1A1 | |
| SCHEMBL8284272 | 0.93 | BACE1 (0.50) | BACE1BACE2OXTRAVPR1AALDH1A1 | |
| SCHEMBL3592515 | 0.88 | BACE1 (0.47) | BACE1BACE2ALDH1A1POLBAPLNR | |
| SCHEMBL8284287 | 0.88 | BACE1 (0.47) | BACE1BACE2ALDH1A1POLBAPLNR | |
| SCHEMBL3592518 | 0.88 | BACE1 (0.47) | BACE1BACE2ALDH1A1POLBAPLNR | |
| SCHEMBL3595507 | 0.88 | BACE1 (0.52) | BACE1BACE2ALDH1A1CTSAAPLNR | |
| SCHEMBL3598706 | 0.88 | BACE1 (0.52) | BACE1BACE2ALDH1A1CTSAAPLNR | |
| SCHEMBL3598702 | 0.88 | BACE1 (0.52) | BACE1BACE2ALDH1A1CTSAAPLNR | |
| SCHEMBL12993809 | 0.88 | BACE1 (0.51) | BACE1BACE2OXTRAVPR1AALDH1A1 |
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-2005103020-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |