Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 11/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL637108 | 1.00 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL1919402 | 1.00 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL637107 | 1.00 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL636056 | 0.75 | GSR (0.67) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL636055 | 0.75 | GSR (0.67) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL9803285 | 0.73 | GSR (0.71) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10157574 | 0.70 | GSR (0.48) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL637092 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10157707 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10158072 | 0.70 | GSR (0.48) | GSRCA2ALDH1A1MAPTBCHE |
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-2326652-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | Merck Sharp & Dohme Corp. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014516-A1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK & CO., INC. (US) | 2010-02-04 | — | — | WO | disclosed |