Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NCEH1 | Q6PIU2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17794267 | 0.89 | BACE1 (0.35) | BACE1BACE2CNR2ALDH1A1NCEH1 | |
| SCHEMBL19731119 | 0.87 | BACE1 (0.37) | BACE1BACE2HTR2CNCEH1 | |
| SCHEMBL17794242 | 0.86 | BACE1 (0.36) | BACE1BACE2ALDH1A1 | |
| SCHEMBL22239134 | 0.86 | BACE1 (0.37) | BACE1BACE2 | |
| SCHEMBL17794245 | 0.82 | BACE1 (0.40) | BACE1BACE2HTR2CNCEH1 | |
| SCHEMBL17794228 | 0.81 | BACE1 (0.41) | BACE1BACE2ALDH1A1 | |
| SCHEMBL17794258 | 0.77 | BACE1 (0.43) | BACE1BACE2ALDH1A1 | |
| SCHEMBL19725865 | 0.77 | BACE1 (0.38) | BACE1BACE2CNR2 | |
| SCHEMBL17794254 | 0.77 | BACE1 (0.41) | BACE1BACE2NCEH1 | |
| SCHEMBL17794259 | 0.76 | BACE1 (0.39) | BACE1BACE2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | 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-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, APP, PSEN1 | BACE1 1/4885BACE2 4/4885HTR2C 3250/4885 |
“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.