Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL3500783 | 1.00 | BACE1 (0.86) | BACE1CTSD | |
| SCHEMBL3500867 | 0.93 | BACE1 (0.83) | BACE1CTSD | |
| SCHEMBL6701879 | 0.93 | BACE1 (0.83) | BACE1CTSD | |
| SCHEMBL6699367 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL6697234 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL3499986 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL6699724 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL6700901 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL3501546 | 0.93 | BACE1 (0.82) | BACE1CTSD | |
| SCHEMBL3500037 | 0.93 | BACE1 (0.82) | BACE1CTSD |
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-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | claimed |
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-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | BACE1 1/4885CTSD 249/4885 |
“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.