Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28993590 | 0.82 | TSHR (0.58) | TSHR | |
| SCHEMBL12014993 | 0.80 | TSHR (0.50) | TSHRCYP2C19GRIN1GRIN2AGRIN2D | |
| SCHEMBL14847330 | 0.80 | TSHR (0.32) | TSHR | |
| SCHEMBL11038466 | 0.80 | TSHR (0.32) | TSHR | |
| Ammonia Solution, Strong SCHEMBL15610994 | 0.79 | TSHR (0.55) | TSHR | |
| SCHEMBL7248980 | 0.75 | TSHR (0.50) | TSHR | |
| SCHEMBL28967871 | 0.74 | TSHR (0.32) | TSHR | |
| SCHEMBL14508450 | 0.73 | TSHR (0.48) | TSHRCYP2C19GRIN1GRIN2AGRIN2D | |
| SCHEMBL11043766 | 0.73 | TSHR (0.48) | TSHR | |
| SCHEMBL10526 | 0.71 | — | — |
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 |