Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 12/20 | 0.41 |
| ▸ | CASP6 | P55212 | 11/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 11/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469640 | 0.88 | TXNRD1 (0.48) | TXNRD1HTTCASP3CASP6CASP8 | |
| SCHEMBL12469670 | 0.87 | TXNRD1 (0.52) | TXNRD1HTTCTSS | |
| SCHEMBL16628784 | 0.87 | TXNRD1 (0.52) | TXNRD1HTTCTSS | |
| SCHEMBL12469706 | 0.87 | TXNRD1 (0.52) | TXNRD1HTTCTSS | |
| SCHEMBL12470033 | 0.76 | CAPN9 (0.40) | CTSS | |
| SCHEMBL12469773 | 0.76 | CAPN9 (0.40) | CTSS | |
| SCHEMBL12469672 | 0.76 | TXNRD1 (0.52) | TXNRD1HTTCTSS | |
| SCHEMBL16628812 | 0.75 | CAPN9 (0.42) | CTSS | |
| SCHEMBL16628809 | 0.75 | CAPN9 (0.42) | CTSS | |
| SCHEMBL16628790 | 0.75 | CAPN9 (0.42) | CTSS |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |