Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | FPR2 | P25090 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL12469706 | 1.00 | TXNRD1 (0.52) | TXNRD1CTSSCTSBCTSLFPR2 | |
| SCHEMBL12469670 | 1.00 | TXNRD1 (0.52) | TXNRD1CTSSCTSBCTSLFPR2 | |
| SCHEMBL12469672 | 0.89 | TXNRD1 (0.52) | TXNRD1CTSSCTSBPOLBNPC1 | |
| SCHEMBL12469638 | 0.87 | TXNRD1 (0.49) | TXNRD1CTSSHTT | |
| SCHEMBL12469640 | 0.77 | TXNRD1 (0.48) | TXNRD1HTT | |
| SCHEMBL12469773 | 0.74 | CAPN9 (0.40) | CTSSCTSBCTSLFPR2CTSK | |
| SCHEMBL12470033 | 0.74 | CAPN9 (0.40) | CTSSCTSBCTSLFPR2CTSK | |
| SCHEMBL16628809 | 0.74 | CAPN9 (0.42) | CTSSCTSBCTSLCTSK | |
| SCHEMBL16628812 | 0.74 | CAPN9 (0.42) | CTSSCTSBCTSLCTSK | |
| SCHEMBL16628790 | 0.74 | CAPN9 (0.42) | CTSSCTSBCTSLCTSK |
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 |