Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 8/20 | 0.36 |
| ▸ | RXRB | P28702 | 4/20 | 0.36 |
| ▸ | RXRG | P48443 | 4/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 8/20 | 0.35 |
| ▸ | RARA | P10276 | 7/20 | 0.35 |
| ▸ | RARG | P13631 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3249788 | 0.85 | CYP1A2 (0.41) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL4464355 | 0.83 | CYP1A2 (0.40) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL9004834 | 0.79 | CYP1A2 (0.40) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL31305881 | 0.77 | CYP1A2 (0.36) | CYP1A2HAO1ALDH1A1 | |
| SCHEMBL28707546 | 0.76 | CYP1A2 (0.41) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL29060322 | 0.76 | CYP1A2 (0.41) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL11563975 | 0.76 | CYP1A2 (0.41) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL28960507 | 0.76 | HAO1 (0.36) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL28891597 | 0.72 | CYP1A2 (0.36) | CYP1A2HAO1RXRARXRBRXRG | |
| SCHEMBL12813290 | 0.71 | NPC1 (0.40) | RXRARXRBRXRGRARBRARA |
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-2655312-A1 | 3-ACYL-INGENOLS II | LEO LABORATORIES LIMITED (IE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012083954-A1 | 3-ACYL-INGENOLS II | LEO PHARMA A/S (DK) | 2012-06-28 | — | — | WO | disclosed |
| US-4669490-A | Novel flavor compositions and tobacco products containing cis-3,7-dimethylocta-3,6-dienoic acid | GIVAUDAN CORPORATION (US) | 1987-06-02 | — | — | US | disclosed |
| US-4496476-A | Odorants containing cis-3,7-dimethylocta-3,6-dienoic acid | GIVAUDAN CORPORATION (US) | 1985-01-29 | — | — | US | disclosed |