Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.49 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.49 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517079 | 0.86 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL3056874 | 0.85 | KMT2A (0.71) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL6658418 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL183463 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL14417753 | 0.82 | KMT2A (0.54) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL24584923 | 0.82 | TXNRD1 (0.51) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL96999 | 0.81 | GAA (0.59) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL1867492 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL5698188 | 0.81 | TXNRD1 (0.54) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL957078 | 0.81 | TP53 (0.54) | ALDH1A1KMT2AMEN1MAPTGAA |
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 1 patent. 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 |