Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5648750 | 1.00 | BACE1 (0.40) | BACE1BACE2ACACBCA12CA1 | |
| SCHEMBL5648755 | 1.00 | BACE1 (0.40) | BACE1BACE2ACACBCA12CA1 | |
| SCHEMBL14350441 | 0.93 | BACE1 (0.39) | BACE1BACE2ACACB | |
| SCHEMBL8265115 | 0.88 | BACE1 (0.35) | BACE1BACE2 | |
| SCHEMBL2023415 | 0.87 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL4946005 | 0.87 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL13269804 | 0.87 | BACE1 (0.37) | BACE1BACE2 | |
| SCHEMBL5651224 | 0.85 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL5651218 | 0.85 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL12578538 | 0.84 | BACE1 (0.46) | BACE1BACE2ACACBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8394837-B2 | 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20070293497-A1 | 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-12-20 | — | — | 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-20070293497-A1 | 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease | BACE1, BACE2, PSEN2 | BACE1 1/4885BACE2 2/4885ACACB 564/4885 |
“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.