Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.68 |
| ▸ | CTSD | P07339 | 11/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL6701304 | 1.00 | BACE1 (0.68) | BACE1CTSDCYP3A4 | |
| SCHEMBL13349523 | 0.93 | BACE1 (0.78) | BACE1CTSDCYP3A4 | |
| SCHEMBL3355039 | 0.90 | BACE1 (0.78) | BACE1CTSDCYP3A4 | |
| SCHEMBL3355037 | 0.90 | BACE1 (0.78) | BACE1CTSDCYP3A4 | |
| SCHEMBL6699533 | 0.89 | BACE1 (0.77) | BACE1CTSDCYP3A4 | |
| SCHEMBL3353712 | 0.89 | BACE1 (0.64) | BACE1CTSDCYP3A4 | |
| SCHEMBL3353705 | 0.89 | BACE1 (0.64) | BACE1CTSDCYP3A4 | |
| SCHEMBL6699539 | 0.89 | BACE1 (0.77) | BACE1CTSDCYP3A4 | |
| SCHEMBL13307696 | 0.88 | BACE1 (0.68) | BACE1CTSDCYP3A4 | |
| SCHEMBL1938731 | 0.87 | BACE1 (0.73) | BACE1CTSDCYP3A4 |
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 249/4885CYP3A4 3402/4885 |
“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.