Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 11/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14556184 | 1.00 | BACE1 (0.59) | BACE1SIGMAR1TMEM97LIPEREN | |
| SCHEMBL3731194 | 1.00 | BACE1 (0.59) | BACE1SIGMAR1TMEM97LIPEREN | |
| SCHEMBL3731222 | 0.91 | BACE1 (0.61) | BACE1SIGMAR1TMEM97 | |
| SCHEMBL3742285 | 0.86 | BACE1 (0.66) | BACE1LIPERENKCNH2 | |
| SCHEMBL3742284 | 0.86 | BACE1 (0.66) | BACE1LIPERENKCNH2 | |
| SCHEMBL3734306 | 0.83 | BACE1 (0.78) | BACE1 | |
| SCHEMBL3734288 | 0.81 | BACE1 (0.73) | BACE1 | |
| SCHEMBL14556214 | 0.81 | BACE1 (0.73) | BACE1 | |
| SCHEMBL4242388 | 0.81 | BACE1 (0.73) | BACE1 | |
| SCHEMBL3734287 | 0.81 | BACE1 (0.73) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2231558-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-09-29 | — | — | EP | claimed |
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | claimed |