Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Cyclohexanol SCHEMBL9499915 | 0.83 | SMN1; SMN2 (0.45) | CYP2D6SMN1; SMN2HSD17B10L3MBTL1TSHR | |
| SCHEMBL2040611 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL25356401 | 0.79 | CYP2D6 (0.37) | CYP2D6 | |
| SCHEMBL9499922 | 0.76 | GSR (0.36) | CYP2D6SMN1; SMN2HSD17B10EPHX2NAAA | |
| SCHEMBL10460054 | 0.75 | HSD17B10 (0.70) | SMN1; SMN2HSD17B10NAAAEPHX1 | |
| SCHEMBL27737813 | 0.75 | CYP2D6 (0.47) | CYP2D6SMN1; SMN2HSD17B10EPHX1 | |
| Cyclohexanol SCHEMBL9497694 | 0.73 | CYP2D6 (0.49) | CYP2D6SMN1; SMN2TSHREPHX2NAAA | |
| SCHEMBL9795293 | 0.71 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10L3MBTL1TSHREPHX1 | |
| SCHEMBL9795300 | 0.71 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10L3MBTL1TSHREPHX1 | |
| SCHEMBL9795308 | 0.71 | SMN1; SMN2 (0.46) | SMN1; SMN2HSD17B10L3MBTL1TSHREPHX1 |
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 | disclosed |
| EP-0367019-A1 | Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds | Roche Diagnostics GmbH (DE) | 1990-05-09 | — | — | EP | disclosed |