Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 14/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL757501 | 1.00 | HSD11B1 (0.41) | HSD11B1BACE1AURKAAURKBSMN1; SMN2 | |
| SCHEMBL4786916 | 1.00 | HSD11B1 (0.41) | HSD11B1BACE1AURKAAURKBSMN1; SMN2 | |
| SCHEMBL10262738 | 1.00 | HSD11B1 (0.41) | HSD11B1BACE1AURKAAURKBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL755052 | 0.96 | AURKA (0.42) | HSD11B1BACE1AURKAAURKBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL757205 | 0.96 | AURKA (0.42) | HSD11B1BACE1AURKAAURKBSMN1; SMN2 | |
| SCHEMBL764637 | 0.91 | BACE1 (0.47) | BACE1BACE2 | |
| SCHEMBL764599 | 0.89 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL755919 | 0.89 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL4739104 | 0.89 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL757907 | 0.89 | BACE1 (0.41) | 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 2 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 | disclosed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |