Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1707864 | 0.84 | — | — | |
| Nitric Acid SCHEMBL9158721 | 0.83 | CA5A (0.36) | CA5ACA5BALDH1A1TDP1 | |
| Nitric Acid SCHEMBL1557021 | 0.77 | EPHX1 (0.38) | EPHX1CA5ACA5BKEAP1NFE2L2 | |
| Nitric Acid SCHEMBL10598174 | 0.75 | — | — | |
| SCHEMBL313343 | 0.73 | — | — | |
| SCHEMBL15074245 | 0.73 | — | — | |
| SCHEMBL14251172 | 0.73 | — | — | |
| Nitric Acid SCHEMBL8957391 | 0.73 | CA5A (0.40) | CA5ACA5BALDH1A1TDP1 | |
| Water SCHEMBL1315360 | 0.71 | — | — | |
| SCHEMBL26985875 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H991-H | Synthesis of nitratomethylmethyloxetane (NMMO) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1991-11-05 | — | — | US | disclosed |