Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL754906 | 1.00 | BACE1 (0.45) | BACE1ADORA3ADORA2AADORA1BACE2 | |
| SCHEMBL756907 | 0.89 | BACE1 (0.44) | BACE1BACE2 | |
| SCHEMBL756849 | 0.89 | BACE1 (0.44) | BACE1BACE2 | |
| SCHEMBL764637 | 0.88 | BACE1 (0.47) | BACE1ADORA3ADORA2AADORA1BACE2 | |
| SCHEMBL755086 | 0.87 | BACE1 (0.39) | BACE1BACE2 | |
| SCHEMBL593161 | 0.84 | BACE1 (0.59) | BACE1ADORA3ADORA2AADORA1BACE2 | |
| SCHEMBL754907 | 0.82 | BACE1 (0.47) | BACE1 | |
| SCHEMBL756995 | 0.81 | BACE1 (0.47) | BACE1 | |
| SCHEMBL757422 | 0.81 | BACE1 (0.44) | BACE1BACE2 | |
| SCHEMBL755926 | 0.81 | BACE1 (0.44) | BACE1BACE2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910364-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | claimed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | claimed |
| EP-1910364-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |