Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18380884 | 0.83 | SMYD3 (0.47) | DRD2SMYD3EPHX1HSD11B1NFKB1 | |
| SCHEMBL7788916 | 0.83 | SMYD3 (0.47) | DRD2SMYD3EPHX1HSD11B1NFKB1 | |
| SCHEMBL7470486 | 0.83 | — | — | |
| SCHEMBL9019581 | 0.83 | ALDH1A1 (0.39) | BCHESMYD3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3971132 | 0.81 | SMYD3 (0.46) | DRD2SMYD3EPHX1HSD11B1NFKB1 | |
| SCHEMBL6439317 | 0.80 | BCHE (0.38) | BCHEALDH1A1 | |
| SCHEMBL6439306 | 0.80 | BCHE (0.38) | BCHEALDH1A1 | |
| SCHEMBL9129954 | 0.78 | SMN1; SMN2 (0.43) | GAAALDH1A1 | |
| SCHEMBL9130345 | 0.78 | ALDH1A1 (0.40) | BCHESMYD3ALDH1A1 | |
| SCHEMBL9499598 | 0.77 | BCHE (0.38) | BCHEEPHX1ALDH1A1 |
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 |