Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 4/20 | 0.50 |
| ▸ | ADH1A | P07327 | 4/20 | 0.50 |
| ▸ | ADH1C | P00326 | 3/20 | 0.50 |
| ▸ | ADH7 | P40394 | 2/20 | 0.50 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | GSR | P00390 | 8/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8957355 | 0.79 | GSR (0.43) | GSRCA2 | |
| SCHEMBL9019508 | 0.78 | ADH1B (0.56) | ADH1BADH1AADH1CADH7ADH4 | |
| SCHEMBL9019510 | 0.76 | ALDH1A1 (0.42) | GSRBCHECA2 | |
| SCHEMBL14499693 | 0.74 | — | — | |
| SCHEMBL5636413 | 0.73 | ADH1B (0.56) | ADH1BADH1AADH1CADH7ADH4 | |
| SCHEMBL11200521 | 0.71 | ADH1B (0.58) | ADH1BADH1AADH1CADH7ADH4 | |
| SCHEMBL9019518 | 0.71 | GSR (0.37) | GSRCA2 | |
| SCHEMBL324551 | 0.70 | — | — | |
| SCHEMBL115509 | 0.70 | — | — | |
| SCHEMBL9125702 | 0.69 | ALDH1A1 (0.38) | BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |
| EP-0515420-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012230-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-22 | — | — | WO | disclosed |