Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL11043766 | 0.86 | TSHR (0.48) | TSHRFDPS | |
| SCHEMBL28275286 | 0.84 | TSHR (0.42) | TSHRCA2MAPK1 | |
| SCHEMBL12517102 | 0.83 | FDPS (0.32) | TSHRFDPS | |
| SCHEMBL36734 | 0.81 | FDPS (0.32) | TSHRFDPS | |
| SCHEMBL28993590 | 0.80 | TSHR (0.58) | TSHR | |
| SCHEMBL11037852 | 0.79 | SPHK1 (0.31) | FDPS | |
| Ammonia Solution, Strong SCHEMBL15610994 | 0.78 | TSHR (0.55) | TSHR | |
| SCHEMBL12642845 | 0.77 | MEN1 (0.46) | TSHR | |
| SCHEMBL12347328 | 0.76 | TSHR (0.48) | TSHRCA2MAPK1CA1FDPS | |
| SCHEMBL28329075 | 0.76 | TSHR (0.48) | TSHRCA2MAPK1CA1FDPS |
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 |