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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2918544 | 0.95 | — | — | |
| SCHEMBL11038404 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| Nitric Acid SCHEMBL2008287 | 0.78 | ALDH1A1 (0.33) | ALDH1A1 | |
| Butanol SCHEMBL8105837 | 0.78 | TSHR (0.59) | ALDH1A1CA5ACA5BTSHR | |
| SCHEMBL6341692 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL4913990 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL1650676 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHR | |
| Nitric Acid SCHEMBL7579556 | 0.76 | CA5A (0.40) | ALDH1A1CA5ACA5BTSHR | |
| SCHEMBL28272450 | 0.76 | — | — | |
| SCHEMBL10496171 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904531-B1 | METHOD OF EXPLOSIVES DETECTION | SECR DEFENCE (GB) | 2002-09-25 | — | — | EP | disclosed |
| US-6245576-B1 | ANALYZING SAMPLES FOR ENERGETIC MATERIALS; BY HEATING SAMPLES IN CHAMBER UNDER PRESSURE AND DETECTING CHEMILUMINESCENT EMISSION | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) | 2001-06-12 | — | — | US | disclosed |
| EP-0904531-A1 | METHOD OF EXPLOSIVES DETECTION | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1999-03-31 | — | — | EP | disclosed |
| WO-1997047958-A1 | METHOD OF EXPLOSIVES DETECTION | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1997-12-18 | — | — | WO | disclosed |