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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | FABP2 | P12104 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4340386 | 0.97 | AKR1C3 (0.50) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| Nitric Acid SCHEMBL28746768 | 0.86 | PTGS2 (0.44) | PTGS1PGRPTGS2 | |
| SCHEMBL14598845 | 0.85 | AKR1C3 (0.56) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL5495433 | 0.83 | PTGS1 (0.47) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL135465 | 0.79 | PTGS1 (0.56) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL29380153 | 0.79 | PTGS1 (0.56) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL5605512 | 0.79 | PTGS1 (0.56) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL2722631 | 0.79 | PTGS1 (0.56) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL5498892 | 0.79 | FAAH (0.54) | PTGS1PGRPDE4AAKR1C3AKR1C2 | |
| SCHEMBL4333084 | 0.78 | PTGS1 (0.52) | PTGS1PGRPDE4AAKR1C3AKR1C2 |
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-1154999-B1 | NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY | NICOX SA (FR) | 2009-04-15 | — | — | EP | disclosed |
| US-6613784-B1 | Cyclooxygenase inhibitors such as 2-acetyloxybenzoic acid 6-(nitroxymethyl)-2-methylpyridinyl ester hydrochloride, having good kinetics, solubility and efficiency; nontoxic | NICOX S.A. (FR) | 2003-09-02 | — | — | US | disclosed |