Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL12341628 | 0.78 | — | — | |
| SCHEMBL12342445 | 0.76 | — | — | |
| SCHEMBL15662580 | 0.76 | CYP3A4 (0.35) | ALDH1A1CYP3A4PRCP | |
| SCHEMBL308887 | 0.73 | CYP3A4 (0.33) | ALDH1A1CYP3A4PRCP | |
| SCHEMBL10472229 | 0.73 | CYP3A4 (0.33) | ALDH1A1CYP3A4PRCP | |
| SCHEMBL16136767 | 0.72 | CYP3A4 (0.30) | CYP3A4 | |
| SCHEMBL2107918 | 0.71 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL16767751 | 0.66 | CHRNB2 (0.37) | PRCP | |
| SCHEMBL7356765 | 0.66 | LMNA (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL2107962 | 0.66 | PRCP (0.31) | PRCP |
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 |
|---|---|---|---|---|---|---|---|
| US-8426582-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426582-B1 | Processes for preparing certain hexaazaisowurtzitanes and their use in preparing hexanitrohexaazaisowurtzitane | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-04-23 | — | — | US | disclosed |