Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 7/20 | 0.35 |
| ▸ | RARB | P10826 | 8/20 | 0.35 |
| ▸ | RARG | P13631 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | RARA | P10276 | 7/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | RXRB | P28702 | 2/20 | 0.35 |
| ▸ | RXRG | P48443 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17129798 | 0.80 | CYP1A2 (0.44) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL29496293 | 0.79 | CYP1A2 (0.39) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL11467133 | 0.79 | HAO1 (0.41) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL14879901 | 0.78 | CYP1A2 (0.46) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL11226671 | 0.77 | CYP1A2 (0.41) | CYP1A2HAO1RXRARARBRARG | |
| Methane SCHEMBL29372364 | 0.77 | CYP1A2 (0.45) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL11328784 | 0.77 | HAO1 (0.42) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL11861435 | 0.76 | HAO1 (0.40) | CYP1A2HAO1RXRARARBRARG | |
| SCHEMBL10379604 | 0.76 | MAPT (0.37) | MAPTALOX15 | |
| SCHEMBL18308880 | 0.75 | CYP1A2 (0.41) | CYP1A2HAO1RXRARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| US-4226892-A | Flavoring with cycloaliphatic unsaturated ketones | FIRMENICH SA (CH) | 1980-10-07 | — | — | US | disclosed |
| US-4187863-A | Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products | FIRMENICH SA (CH) | 1980-02-12 | — | — | US | disclosed |
| US-3975310-A | PERFUME | FIRMENICH S.A. (CH) | 1976-08-17 | — | — | US | disclosed |
| US-3931326-A | FLAVOR, TASTE, ODOR, PERFUMES | FIRMENICH SA (CH) | 1976-01-06 | — | — | US | disclosed |