Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20544114 | 0.77 | CYP2C19 (0.39) | CYP2C19CYP2C9HIF1AMT-CO2ALOX5 | |
| SCHEMBL11467541 | 0.76 | MCL1 (0.44) | CYP2C19CYP2C9MT-CO2ALOX5ALDH1A1 | |
| SCHEMBL8336178 | 0.75 | TLR4 (0.35) | TLR4 | |
| SCHEMBL16283604 | 0.75 | MAPT (0.41) | CYP2C19CYP2C9HIF1AMT-CO2ALOX5 | |
| Benzaldehyde SCHEMBL1040837 | 0.74 | ALDH1A1 (0.39) | CYP2C19MT-CO2ALOX5SMN1; SMN2ALDH1A1 | |
| SCHEMBL11033610 | 0.72 | TLR4 (0.33) | TLR4 | |
| SCHEMBL901213 | 0.72 | TLR4 (0.33) | TLR4 | |
| SCHEMBL15368049 | 0.72 | TLR4 (0.33) | TLR4 | |
| SCHEMBL31278068 | 0.72 | TLR4 (0.33) | TLR4 | |
| SCHEMBL111047 | 0.72 | TLR4 (0.33) | TLR4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254239-B1 | OPTICALLY PURE 1,3-DIOXENONES, METHODS FOR PREPARING SAME AND USE THEREOF | Studiengesellschaft Kohle mbH (DE) | 1992-04-01 | — | — | EP | claimed |
| EP-0254239-B1 | OPTICALLY PURE 1,3-DIOXENONES, METHODS FOR PREPARING SAME AND USE THEREOF | Studiengesellschaft Kohle mbH (DE) | 1992-04-01 | — | — | EP | disclosed |
| US-5026877-A | Optically pure 1,3-dioxenones, methods for preparing same and use thereof | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1991-06-25 | — | — | US | disclosed |
| US-4864037-A | Optically pure 1,3-dioxenones, methods for preparing same and use thereof | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1989-09-05 | — | — | US | disclosed |
| EP-0254239-A2 | Optically pure 1,3-dioxenones, methods for preparing same and use thereof | Studiengesellschaft Kohle mbH (DE) | 1988-01-27 | — | — | EP | disclosed |