Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN9 | O14815 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 6/20 | 0.41 |
| ▸ | CTSL | P07711 | 4/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.39 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | PPID | Q08752 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628790 | 1.00 | CAPN9 (0.42) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL16628809 | 1.00 | CAPN9 (0.42) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL12469773 | 0.87 | CAPN9 (0.40) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL12470033 | 0.87 | CAPN9 (0.40) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL21265876 | 0.83 | ALDH1A1 (0.49) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL6756063 | 0.80 | CAPN9 (0.43) | CAPN9CAPN1CTSLCTSBLMNA | |
| SCHEMBL10979134 | 0.78 | CTSK (0.64) | CAPN1CTSLCTSBCTSSCTSK | |
| SCHEMBL12469638 | 0.75 | TXNRD1 (0.49) | CTSS | |
| SCHEMBL12469706 | 0.74 | TXNRD1 (0.52) | CTSLCTSBCTSSCTSK | |
| SCHEMBL7372630 | 0.73 | CAPN9 (0.40) | CAPN9CAPN1CTSLCTSBLMNA |
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 |