Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 13/20 | 0.39 |
| ▸ | CASP6 | P55212 | 12/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 12/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469672 | 0.88 | TXNRD1 (0.52) | TXNRD1HTTTDP1 | |
| SCHEMBL12469638 | 0.88 | TXNRD1 (0.49) | TXNRD1HTTCASP3CASP6CASP8 | |
| SCHEMBL12469706 | 0.77 | TXNRD1 (0.52) | TXNRD1HTT | |
| SCHEMBL16628784 | 0.77 | TXNRD1 (0.52) | TXNRD1HTT | |
| SCHEMBL12469670 | 0.77 | TXNRD1 (0.52) | TXNRD1HTT | |
| SCHEMBL11229135 | 0.70 | NLRP3 (0.61) | TXNRD1HTTNLRP3L3MBTL1TDP1 | |
| SCHEMBL18754170 | 0.68 | HTT (0.60) | HTTNLRP3 | |
| SCHEMBL12469879 | 0.66 | TXNRD1 (1.00) | TXNRD1CASP3CASP6CASP8L3MBTL1 | |
| SCHEMBL8493097 | 0.66 | CA12 (0.66) | NLRP3L3MBTL1TDP1 | |
| SCHEMBL16638892 | 0.65 | TXNRD1 (0.64) | TXNRD1CASP3CASP6CASP8L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |