Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1163958 | 0.88 | ALDH1A1 (0.59) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL8854338 | 0.84 | CYP1A2 (0.61) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL39353 | 0.84 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL29357192 | 0.84 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL30008257 | 0.84 | CYP1A2 (0.61) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL9416933 | 0.83 | ALDH1A1 (0.62) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL9413678 | 0.82 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL1785592 | 0.82 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL31193211 | 0.82 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR | |
| SCHEMBL8553511 | 0.82 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP1A2ALDH1A1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4463187-A | Process for the preparation of 3,5-dihydrocarbyl-4-hydroxybenzylmalonic acid esters | ETHYL CORPORATION (US) | 1984-07-31 | — | — | US | claimed |
| EP-0163635-A4 | PROCESS FOR PREPARING SUBSTITUTED BENZYL MALONIC ACID ESTERS. | ETHYL CORP (US) | 1986-04-02 | — | — | EP | disclosed |
| EP-0163635-A1 | PROCESS FOR PREPARING SUBSTITUTED BENZYL MALONIC ACID ESTERS | ETHYL CORPORATION (US) | 1985-12-11 | — | — | EP | disclosed |
| WO-1985002182-A1 | PROCESS FOR PREPARING SUBSTITUTED BENZYL MALONIC ACID ESTERS | ETHYL CORPORATION (US) | 1985-05-23 | — | — | WO | disclosed |
| US-4463187-A | Process for the preparation of 3,5-dihydrocarbyl-4-hydroxybenzylmalonic acid esters | ETHYL CORPORATION (US) | 1984-07-31 | — | — | US | disclosed |
| US-4308407-A | Chemical process | ETHYL CORPORATION (US) | 1981-12-29 | — | — | US | disclosed |