Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 8/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 7/20 | 0.50 |
| ▸ | GNAI1 | P63096 | 7/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9345675 | 0.89 | KCNH2 (0.43) | GNAO1GNAI3GNAI1KCNH2CHRM3 | |
| SCHEMBL9330677 | 0.87 | HRH3 (0.40) | CHRM3 | |
| SCHEMBL5148816 | 0.81 | GSR (0.35) | — | |
| SCHEMBL9330735 | 0.81 | KEAP1 (0.39) | CHRM3 | |
| SCHEMBL9330340 | 0.80 | SMN1; SMN2 (0.40) | CHRM3 | |
| Hexadecane SCHEMBL27700138 | 0.78 | NAAA (0.49) | — | |
| Hexadecane SCHEMBL10637951 | 0.78 | NAAA (0.49) | — | |
| SCHEMBL4586997 | 0.78 | KDM4E (0.40) | — | |
| SCHEMBL5153918 | 0.77 | GSR (0.33) | — | |
| SCHEMBL9330490 | 0.77 | ALOX15 (0.41) | GNAO1GNAI3GNAI1CHRM3 |
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-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 |
| 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 |