Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL8897924 | 0.95 | FDPS (0.34) | SPHK1FDPS | |
| SCHEMBL11038425 | 0.91 | SPHK1 (0.30) | SPHK1FDPS | |
| SCHEMBL11040146 | 0.89 | TSHR (0.37) | FDPSTSHR | |
| SCHEMBL11043781 | 0.85 | SPHK1 (0.32) | SPHK1FDPSTSHRESR1ESR2 | |
| SCHEMBL228952 | 0.83 | ALDH1A1 (0.33) | SPHK1FDPSTSHR | |
| Isopropyl Alcohol SCHEMBL5323118 | 0.83 | GGPS1 (0.40) | SPHK1FDPSTSHR | |
| SCHEMBL15501084 | 0.83 | ALDH1A1 (0.33) | SPHK1FDPSTSHR | |
| SCHEMBL17201784 | 0.80 | FDPS (0.32) | FDPSESR1ESR2 | |
| SCHEMBL406532 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL31329336 | 0.79 | TSHR (0.33) | TSHR |
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 2 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 |