Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | 0.73 | TXNRD1 (1.00) | TXNRD1KMT2AMEN1TSHRHPGD | |
| SCHEMBL12469658 | 0.72 | TXNRD1 (0.60) | TXNRD1KMT2AMEN1CYP2D6HPGD | |
| SCHEMBL17292049 | 0.66 | MMP8 (0.53) | KMT2ATSHRCYP2D6ALDH1A1MAPT | |
| SCHEMBL21358709 | 0.66 | ITGA4 (0.48) | TXNRD1HPGDALDH1A1MAPTHTT | |
| SCHEMBL21358708 | 0.66 | ITGA4 (0.48) | TXNRD1HPGDALDH1A1MAPTHTT | |
| Trifluoroacetic Acid SCHEMBL7101192 | 0.66 | MMP8 (0.53) | KMT2ATSHRCYP2D6ALDH1A1TACR1 | |
| SCHEMBL7860840 | 0.65 | KDM4E (0.58) | KMT2AMEN1ALDH1A1LMNAPOLB | |
| SCHEMBL14743832 | 0.65 | MME (0.46) | KMT2AMEN1TSHRCYP2D6HPGD | |
| SCHEMBL6587632 | 0.64 | KMT2A (0.57) | KMT2AMEN1TSHRCYP2D6ALDH1A1 | |
| SCHEMBL1994212 | 0.64 | CA12 (0.55) | TXNRD1TSHRHPGDALDH1A1LMNA |
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 |