Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.41 |
| ▸ | ESRRA | P11474 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL7525639 | 0.87 | ESRRA (0.43) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL7520581 | 0.87 | ALDH1A1 (0.49) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL7517877 | 0.87 | CA2 (0.41) | ALDH1A1NR1H4ATMGAANPSR1 | |
| SCHEMBL7520674 | 0.86 | NR1H4 (0.52) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL7515882 | 0.85 | ESRRA (0.45) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL7525650 | 0.85 | ALOX15 (0.44) | ALDH1A1NR1H4ESRRAGAANR1I2 | |
| SCHEMBL7525633 | 0.84 | ALDH1A1 (0.41) | ALDH1A1NR1H4ESRRAATMGAA | |
| Propionic Acid SCHEMBL27515791 | 0.79 | POLB (0.44) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL27497915 | 0.78 | MAPT (0.41) | ALDH1A1NR1H4ESRRAATMGAA | |
| SCHEMBL7520303 | 0.78 | VCAM1 (0.33) | ALDH1A1NR1H4ESRRAATMGAA |
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-0900225-B1 | ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS | AVENTIS PHARMA INC (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5608095-A | Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-04 | — | — | US | disclosed |