Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | GSR | P00390 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497713 | 1.00 | BCHE (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9019599 | 0.88 | ALDH1A1 (0.43) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9129652 | 0.88 | ALDH1A1 (0.43) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9128523 | 0.85 | BCHE (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9019536 | 0.85 | BCHE (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9019509 | 0.84 | RORC (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9129110 | 0.84 | RORC (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9127415 | 0.82 | PDK1 (0.35) | BCHEPDK1PDK2PDK3PDK4 | |
| SCHEMBL9128927 | 0.82 | SMYD3 (0.33) | BCHEALDH1A1 | |
| SCHEMBL9795309 | 0.81 | HSD11B1 (0.39) | BCHEALDH1A1 |
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-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | claimed |
| EP-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | disclosed |