Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2821747 | 1.00 | AADAT (0.34) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL2820090 | 0.90 | AADAT (0.34) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL2820087 | 0.90 | AADAT (0.34) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL756120 | 0.88 | PDK1 (0.38) | PDK1PDK2PDK3PDK4OPRK1 | |
| SCHEMBL758064 | 0.84 | BACE1 (0.40) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL8247533 | 0.84 | BACE1 (0.40) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL13435140 | 0.83 | PDK1 (0.38) | AADATPDK1PDK2PDK3PDK4 | |
| SCHEMBL2819818 | 0.83 | KDM4E (0.40) | PDK1PDK2PDK3PDK4SLC6A3 | |
| SCHEMBL2819817 | 0.83 | KDM4E (0.40) | PDK1PDK2PDK3PDK4SLC6A3 | |
| SCHEMBL755040 | 0.82 | BACE1 (0.37) | AADATPDK1PDK2PDK3PDK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2117309-B1 | BICYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2013-11-06 | — | — | EP | disclosed |
| US-8377954-B2 | Bicyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp (US) | 2013-02-19 | — | — | US | disclosed |
| US-20100076004-A1 | BICYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-03-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100076004-A1 | BICYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | AADAT 3214/4885PDK1 1694/4885PDK2 1569/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.