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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.39 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL318061 | 0.91 | AKR1C3 (0.41) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL29352004 | 0.91 | AKR1C3 (0.41) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| Hydrochloric Acid SCHEMBL4531372 | 0.90 | AKR1C3 (0.41) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| Sulfuric Acid SCHEMBL4533948 | 0.89 | AKR1C3 (0.42) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL4518807 | 0.88 | AKR1C3 (0.41) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL20521243 | 0.84 | AKR1C3 (0.37) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL322332 | 0.83 | AKR1C3 (0.43) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL29353222 | 0.83 | AKR1C3 (0.43) | AKR1C3AKR1C2MAP4K4CSNK1G2CLK4 | |
| Nitric Acid SCHEMBL4521661 | 0.83 | AKR1C3 (0.42) | ALDH1A1AKR1C3AKR1C2MAP4K4CSNK1G2 | |
| SCHEMBL4507256 | 0.82 | L3MBTL1 (0.39) | AKR1C3AKR1C2TRPV3PDGFRBPDGFRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1736471-B1 | 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES | MITSUI CHEMICALS AGRO INC (JP) | 2014-01-08 | — | — | EP | disclosed |
| US-7632783-B2 | fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-15 | — | — | US | disclosed |
| CN-100556904-C | 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds | SANKYO AGRO CO LTD (JP) | 2009-11-04 | — | — | CN | disclosed |
| US-20080275242-A1 | 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound | MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) | 2008-11-06 | — | — | US | disclosed |
| CN-1910172-A | 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds | SANKYO AGRO CO LTD (JP) | 2007-02-07 | — | — | CN | disclosed |
| EP-1736471-A1 | 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES | Sankyo Agro Company, Limited (JP) | 2006-12-27 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080275242-A1 | 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound | QTRT1, RABL3, RECQL | ALDH1A1 1185/4885AKR1C3 1232/4885AKR1C2 1859/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.