Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 7/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9128523 | 1.00 | BCHE (0.35) | BCHESSTR4PDK1PDK2PDK3 | |
| SCHEMBL9019599 | 0.88 | ALDH1A1 (0.43) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9129652 | 0.88 | ALDH1A1 (0.43) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9497713 | 0.85 | BCHE (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9498023 | 0.85 | BCHE (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9127415 | 0.82 | PDK1 (0.35) | BCHESSTR4PDK1PDK2PDK3 | |
| SCHEMBL9129110 | 0.81 | RORC (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9019509 | 0.81 | RORC (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL6439306 | 0.79 | BCHE (0.38) | BCHEGSRSMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL6439317 | 0.79 | BCHE (0.38) | BCHEGSRSMN1; SMN2ALDH1A1L3MBTL1 |
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 3 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 |
| 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 |