Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.30 |
| ▸ | ZDHHC2 | Q9UIJ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL11040089 | 0.89 | — | — | |
| SCHEMBL7059895 | 0.81 | CES2 (0.40) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL11043764 | 0.81 | ALDH1A1 (0.30) | TSHR | |
| SCHEMBL11042964 | 0.80 | TSHR (0.33) | TSHRHPGDZDHHC20ZDHHC2 | |
| SCHEMBL15859490 | 0.79 | CES2 (0.41) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL4662016 | 0.79 | CES2 (0.41) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL5961394 | 0.79 | CES2 (0.41) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL9324160 | 0.76 | CES2 (0.39) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL5280547 | 0.76 | CES2 (0.39) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL11043401 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0038471-B1 | BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS | Consortium für elektrochemische Industrie GmbH (DE) | 1984-11-14 | — | — | EP | disclosed |
| US-4385185-A | β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1983-05-24 | — | — | US | disclosed |
| EP-0038471-A1 | Beta-gamma-unsaturated ketones and isoprenoic dienones, process for their preparation and their use as perfume compounds and flavourings | Consortium für elektrochemische Industrie GmbH (DE) | 1981-10-28 | — | — | EP | disclosed |