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 | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL148929 | 0.80 | ALDH1A1 (0.39) | — | |
| Nitric Acid SCHEMBL3422347 | 0.77 | CA5A (0.53) | CA5ACA5B | |
| Nitric Acid SCHEMBL517277 | 0.77 | — | — | |
| Isopropyl Alcohol SCHEMBL10586828 | 0.76 | CA5A (0.61) | CA5ACA5B | |
| Water SCHEMBL1506765 | 0.76 | ALDH1A1 (0.36) | — | |
| Isopropyl Alcohol SCHEMBL5903500 | 0.76 | — | — | |
| Nitric Acid SCHEMBL3772020 | 0.76 | — | — | |
| Iodide SCHEMBL17865375 | 0.76 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11313405 | 0.76 | ALDH1A1 (0.36) | — | |
| Nitric Acid SCHEMBL10804357 | 0.76 | CA5A (0.44) | CA5ACA5B |
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-1663486-A4 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN SPEC CHEM CORP (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070282026-A1 | Low-Odor Catalyst for Isocyanate-Derived Foams and Elastomers | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2007-12-06 | — | — | US | disclosed |
| EP-1663486-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005009601-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |