Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TERT | O14746 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARD | Q03181 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11041739 | 1.00 | TSHR (0.42) | TSHRFAAHALDH1A1CES2CES1 | |
| SCHEMBL11043125 | 0.95 | CES1 (0.42) | TSHRFAAHALDH1A1CES2CES1 | |
| SCHEMBL11043130 | 0.95 | CES1 (0.42) | TSHRFAAHALDH1A1CES2CES1 | |
| SCHEMBL11038523 | 0.87 | TSHR (0.37) | TSHRFAAHALDH1A1CES2CES1 | |
| SCHEMBL11038524 | 0.87 | TSHR (0.37) | TSHRFAAHALDH1A1CES2CES1 | |
| SCHEMBL2909571 | 0.84 | EP300 (0.46) | TSHRFAAHALDH1A1TERTPTPN1 | |
| SCHEMBL11039754 | 0.79 | ALDH1A1 (0.36) | TSHRALDH1A1MAPTLMNATDP1 | |
| SCHEMBL11039756 | 0.79 | ALDH1A1 (0.36) | TSHRALDH1A1MAPTLMNATDP1 | |
| SCHEMBL1603606 | 0.77 | PPARG (0.62) | TSHRFAAHALDH1A1TERTPTPN1 | |
| SCHEMBL1119014 | 0.77 | PPARG (0.62) | TSHRFAAHALDH1A1TERTPTPN1 |
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 |