Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL11207400 | 1.00 | ALDH1A1 (0.52) | ALDH1A1BCHEPOLBMAOAACHE | |
| SCHEMBL12158699 | 0.90 | — | — | |
| SCHEMBL1335595 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL30586727 | 0.84 | ALDH1A1 (0.50) | ALDH1A1BCHEPOLBMAOAACHE | |
| SCHEMBL3694278 | 0.84 | ALDH1A1 (0.50) | ALDH1A1BCHEPOLBMAOAACHE | |
| Benzoquinone SCHEMBL2431034 | 0.83 | ALDH1A1 (0.57) | ALDH1A1BCHEPOLBMAOAACHE | |
| SCHEMBL11207122 | 0.83 | ALDH1A1 (0.48) | ALDH1A1BCHEPOLBMAOAACHE | |
| SCHEMBL11206389 | 0.83 | ALDH1A1 (0.48) | ALDH1A1BCHEPOLBMAOAACHE | |
| SCHEMBL30545269 | 0.77 | ALDH1A1 (0.39) | ALDH1A1POLBCA1CA9 | |
| SCHEMBL25497698 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0015412-B1 | UNSATURATED MACROCYCLIC KETONES; THEIR PREPARATION; PREPARATION OF SATURATED MACROCYCLIC KETONES; APPLICATION IN PERFUME AND FLAVOUR COMPOSITIONS OF SOME UNSATURATED MACROCYCLIC KETONES | FIRMENICH SA (CH) | 1983-05-18 | — | — | EP | claimed |
| US-4346023-A | FLAVORS, PERFUMES | FIRMENICH SA (CH) | 1982-08-24 | — | — | US | claimed |
| EP-0015412-A2 | Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones | FIRMENICH SA (CH) | 1980-09-17 | — | — | EP | claimed |
| EP-0015412-B1 | UNSATURATED MACROCYCLIC KETONES; THEIR PREPARATION; PREPARATION OF SATURATED MACROCYCLIC KETONES; APPLICATION IN PERFUME AND FLAVOUR COMPOSITIONS OF SOME UNSATURATED MACROCYCLIC KETONES | FIRMENICH SA (CH) | 1983-05-18 | — | — | EP | disclosed |
| US-4346023-A | FLAVORS, PERFUMES | FIRMENICH SA (CH) | 1982-08-24 | — | — | US | disclosed |
| US-4302607-A | CYCLOPENTADECANONES | FIRMENICH SA (CH) | 1981-11-24 | — | — | US | disclosed |
| EP-0015412-A2 | Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones | FIRMENICH SA (CH) | 1980-09-17 | — | — | EP | disclosed |