Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.44 |
| ▸ | CTSB | P07858 | 9/20 | 0.44 |
| ▸ | CTSD | P07339 | 5/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6699551 | 0.97 | BACE1 (0.42) | BACE1CTSBCTSDMLNRABCB11 | |
| SCHEMBL6695303 | 0.85 | CTSD (0.36) | BACE1CTSBCTSDMLNRABCB11 | |
| SCHEMBL3350368 | 0.78 | CTSB (0.58) | BACE1CTSB | |
| SCHEMBL3490125 | 0.77 | BACE1 (0.51) | BACE1CTSBCTSD | |
| SCHEMBL3490931 | 0.73 | BACE1 (0.48) | BACE1CTSBCTSD | |
| SCHEMBL5373672 | 0.71 | CTSB (0.47) | BACE1CTSB | |
| SCHEMBL3352368 | 0.70 | BACE1 (0.46) | BACE1CTSBCTSD | |
| SCHEMBL5436485 | 0.69 | BACE1 (0.63) | BACE1CTSBCTSD | |
| SCHEMBL3352030 | 0.69 | MLNR (0.46) | BACE1CTSBCTSDMLNRABCB11 | |
| SCHEMBL14347813 | 0.69 | CTSB (0.77) | BACE1CTSB |
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 1/4885CTSB 317/4885CTSD 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.