Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA4 | P22459 | 1/20 | 0.36 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.36 |
| ▸ | KCNAB1 | Q14722 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12045567 | 0.73 | KCNA4 (0.31) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL3287242 | 0.73 | KCNA4 (0.61) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL11422486 | 0.71 | — | — | |
| SCHEMBL14911002 | 0.69 | — | — | |
| SCHEMBL272478 | 0.69 | NLRP3 (0.36) | NLRP3 | |
| SCHEMBL3285840 | 0.65 | NLRP3 (0.33) | NLRP3 | |
| SCHEMBL3289507 | 0.62 | NLRP3 (0.32) | NLRP3 | |
| SCHEMBL3298482 | 0.62 | NLRP3 (0.32) | NLRP3 | |
| Dioxane SCHEMBL5805799 | 0.60 | CA5A (0.57) | — | |
| Dioxane SCHEMBL27608979 | 0.60 | TTR (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713401-B2 | Methods for performing electrochemical nitration reactions | BATTELLE ENERGY ALLIANCE, LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-20090038953-A1 | METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS | ENERGY, UNITED STATES DEPARTMENT OF | 2009-02-12 | — | — | US | disclosed |
| WO-2009020798-A1 | METHODS FOR PERFORMING ELECTROCHEMICAL NITRATION REACTIONS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2009-02-12 | — | — | WO | disclosed |
| US-4910322-A | Synthesis of geminal dinitro compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1990-03-20 | — | — | US | disclosed |
| US-4774366-A | Synthesis of geminal dinitro compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1988-09-27 | — | — | US | disclosed |
| US-4594430-A | Synthesis of geminal dinitro compounds | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1986-06-10 | — | — | US | disclosed |