Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14788325 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EKMT2ATP53POLB | |
| SCHEMBL23888492 | 0.70 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2APOLBSMN1; SMN2 | |
| SCHEMBL12696373 | 0.67 | ALDH1A1 (0.35) | ALDH1A1KDM4EKMT2ATP53POLB | |
| SCHEMBL523291 | 0.66 | APLNR (0.63) | ALDH1A1KMT2APOLBSMN1; SMN2MEN1 | |
| SCHEMBL14788457 | 0.66 | C5AR1 (0.45) | ALDH1A1KDM4EKMT2ATP53SMN1; SMN2 | |
| SCHEMBL997223 | 0.65 | KMT2A (0.43) | ALDH1A1KDM4EKMT2ATP53POLB | |
| SCHEMBL997225 | 0.65 | KMT2A (0.43) | ALDH1A1KDM4EKMT2ATP53POLB | |
| SCHEMBL12469773 | 0.65 | CAPN9 (0.40) | ALDH1A1 | |
| SCHEMBL12470033 | 0.65 | CAPN9 (0.40) | ALDH1A1 | |
| SCHEMBL27702847 | 0.65 | CNR1 (0.51) | ALDH1A1KMT2ATP53POLBSMN1; SMN2 |
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 | ALDH1A1 255/4885KDM4E 1821/4885KMT2A 2717/4885 |
“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.