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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TTPA | P49638 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL219749 | 0.92 | MEN1 (0.36) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL3863882 | 0.86 | — | — | |
| Nitric Acid SCHEMBL1832200 | 0.84 | — | — | |
| Nitric Acid SCHEMBL4961752 | 0.81 | CA12 (0.33) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| Nitric Acid SCHEMBL2481069 | 0.79 | CA12 (0.36) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| Nitric Acid SCHEMBL3864351 | 0.76 | CA5A (0.38) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL221310 | 0.74 | — | — | |
| Nitric Acid SCHEMBL220250 | 0.73 | CYP2C19 (0.35) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL28486807 | 0.73 | — | — | |
| SCHEMBL2480926 | 0.72 | CA12 (0.39) | ALDH1A1 |
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-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | disclosed |
| EP-1539729-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004004648-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-15 | — | — | WO | disclosed |