Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN9 | O14815 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 5/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL12470033 | 1.00 | CAPN9 (0.40) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL16628812 | 0.87 | CAPN9 (0.42) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL16628809 | 0.87 | CAPN9 (0.42) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL16628790 | 0.87 | CAPN9 (0.42) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL12469902 | 0.82 | ALDH1A1 (0.41) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL21265876 | 0.81 | ALDH1A1 (0.49) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL6756063 | 0.77 | CAPN9 (0.43) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL10979134 | 0.76 | CTSK (0.64) | CAPN1CTSLCTSBCTSSCTSK | |
| SCHEMBL12469638 | 0.76 | TXNRD1 (0.49) | CTSS | |
| SCHEMBL16628784 | 0.74 | TXNRD1 (0.52) | CTSLCTSBCTSSCTSKFPR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9018255-B2 | Esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them, and their use as inhibitors of the thioredoxin—thioredoxin reductase system | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2015-04-28 | — | — | US | disclosed |
| EP-2627628-B1 | NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM | INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) | 2015-04-15 | — | — | EP | disclosed |
| US-20130317102-A1 | Novel Esters of (Acyloxymethyl)Acrylamide, a Pharmaceutical Composition Containing Them, and Their use as Inhibitors of the Thioredoxin - Thioredoxin Reductase System | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2013-11-28 | — | — | US | disclosed |
| EP-2627628-A1 | NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM | Instytut Chemii Fizycznej Polskiej Akademii Nauk (PL) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012050465-A1 | NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2012-04-19 | — | — | WO | 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-20130317102-A1 | Novel Esters of (Acyloxymethyl)Acrylamide, a Pharmaceutical Composition Containing Them, and Their use as Inhibitors of the Thioredoxin - Thioredoxin Reductase System | TXNRD3, TXNRD1, TXN | CAPN9 988/4885CAPN1 649/4885CTSL 4694/4885 |
“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.