Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL3737168 | 1.00 | BACE1 (1.00) | BACE1PTGS2SCD5MAPK1NR1H2 | |
| SCHEMBL3736070 | 0.90 | BACE1 (0.81) | BACE1SCD5MAPK1 | |
| SCHEMBL3735146 | 0.89 | BACE1 (0.81) | BACE1SCD5MAPK1 | |
| SCHEMBL3735144 | 0.89 | BACE1 (0.81) | BACE1SCD5MAPK1 | |
| SCHEMBL3736115 | 0.89 | BACE1 (0.80) | BACE1SCD5 | |
| SCHEMBL3736117 | 0.89 | BACE1 (0.80) | BACE1SCD5 | |
| SCHEMBL3734063 | 0.88 | BACE1 (0.79) | BACE1SCD5MAPK1 | |
| SCHEMBL4230395 | 0.88 | BACE1 (0.79) | BACE1SCD5MAPK1 | |
| SCHEMBL3736938 | 0.88 | BACE1 (0.79) | BACE1SCD5MAPK1 | |
| SCHEMBL3730720 | 0.88 | BACE1 (0.78) | BACE1SCD5MAPK1 |
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-8354545-B2 | 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-11-04 | — | — | 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-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | BACE1 1/4885PTGS2 1384/4885SCD5 685/4885 |
“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.