Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 4/20 | 0.45 |
| ▸ | MMP2 | P08253 | 4/20 | 0.45 |
| ▸ | MMP9 | P14780 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469853 | 0.75 | TXNRD1 (1.00) | TXNRD1ALDH1A1LMNAHPGDMAPT | |
| SCHEMBL7177043 | 0.72 | TXNRD1 (0.47) | TXNRD1ALDH1A1HTTELANEKDM4E | |
| SCHEMBL12469657 | 0.72 | TXNRD1 (0.57) | TXNRD1ALDH1A1LMNACYP2D6HPGD | |
| SCHEMBL10336384 | 0.70 | ALDH1A1 (0.89) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL5158355 | 0.70 | ALDH1A1 (0.89) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL27311354 | 0.70 | ALDH1A1 (0.89) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL11743634 | 0.68 | ALDH1A1 (0.67) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL11743630 | 0.68 | ALDH1A1 (0.67) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL23252469 | 0.68 | ALDH1A1 (0.71) | ALDH1A1LMNACYP2D6CYP2C19MMP1 | |
| SCHEMBL4740792 | 0.66 | TXNRD1 (0.56) | TXNRD1ALDH1A1LMNACYP2D6CYP2C19 |
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 2 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 | 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 |