Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA4 | P22748 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2435270 | 0.93 | — | — | |
| SCHEMBL11792981 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA2PTGS2PTGS1CA12 | |
| SCHEMBL28277555 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA2PTGS2PTGS1CA12 | |
| SCHEMBL439675 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA2PTGS2PTGS1CA12 | |
| SCHEMBL1773954 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA2PTGS2PTGS1CA12 | |
| SCHEMBL437092 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA2PTGS2PTGS1CA12 | |
| Lithium Ion SCHEMBL28294852 | 0.82 | CA2 (0.39) | ALDH1A1CA2LMNA | |
| SCHEMBL9505491 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CA2LMNAPTGS2PTGS1 | |
| SCHEMBL1774061 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CA2LMNAPTGS2PTGS1 | |
| SCHEMBL417312 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CA2PTGS2PTGS1CA12 |
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-0129995-B2 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1993-09-08 | — | — | EP | disclosed |
| US-4853157-A | Process for the manufacture of nitric acid esters | AECI LIMITED (ZA) | 1989-08-01 | — | — | US | disclosed |
| EP-0129995-B1 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1987-05-13 | — | — | EP | disclosed |
| EP-0129995-A2 | A process for the manufacture of nitric acid esters | AECI LIMITED (ZA) | 1985-01-02 | — | — | EP | disclosed |