Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL9799578 | 0.88 | EPHX1 (0.35) | EPHX1POLBSSTR1SSTR4SMYD3 | |
| SCHEMBL9329832 | 0.81 | SSTR4 (0.45) | SSTR1SSTR4 | |
| SCHEMBL9329974 | 0.78 | SSTR4 (0.52) | EPHX1POLBSSTR1SSTR4GNAI3 | |
| SCHEMBL19717405 | 0.76 | EPHX1 (0.48) | EPHX1POLBSSTR1SSTR4PDK1 | |
| SCHEMBL29317763 | 0.75 | EPHX1 (0.47) | EPHX1POLBSSTR1SSTR4PDK1 | |
| SCHEMBL6697632 | 0.75 | EPHX1 (0.59) | EPHX1POLBSSTR1SSTR4PDK1 | |
| SCHEMBL9799570 | 0.74 | SSTR1 (0.37) | EPHX1POLBSSTR1SSTR4GNAI3 | |
| SCHEMBL15447615 | 0.73 | EPHX1 (0.57) | EPHX1POLBSSTR1SSTR4PDK1 | |
| SCHEMBL9333374 | 0.70 | EPHX1 (0.44) | EPHX1POLBGNAI3GNAO1GNAI1 | |
| SCHEMBL12334726 | 0.69 | EPHX1 (0.52) | EPHX1POLBSSTR1SSTR4PDK1 |
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-0366004-B1 | Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof | BOEHRINGER MANNHEIM GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| EP-0366004-A1 | Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof | Roche Diagnostics GmbH (DE) | 1990-05-02 | — | — | EP | disclosed |