Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7514801 | 0.85 | ALDH1A1 (0.38) | GABRA1GABRB2CA2ALDH1A1TP53 | |
| SCHEMBL7520207 | 0.80 | ALDH1A1 (0.39) | GABRA1GABRB2CA2CYP1A2CYP2C9 | |
| SCHEMBL8389494 | 0.80 | CA2 (0.42) | GABRA1GABRB2CA2CYP1A2CYP2C9 | |
| SCHEMBL8439852 | 0.80 | ALDH1A1 (0.41) | GABRA1GABRB2CA2ALDH1A1TSHR | |
| SCHEMBL7520590 | 0.76 | GABRA1 (0.30) | GABRA1GABRB2CA2 | |
| SCHEMBL5692154 | 0.76 | GABRA1 (0.41) | GABRA1GABRB2CA2 | |
| SCHEMBL7522339 | 0.76 | GABRA1 (0.35) | GABRA1GABRB2MEN1NPC1KMT2A | |
| SCHEMBL7526427 | 0.75 | ALDH1A1 (0.37) | GABRA1GABRB2CA2CYP1A2CYP2C9 | |
| SCHEMBL7520622 | 0.75 | FAAH (0.34) | GABRA1GABRB2CA2CYP1A2MEN1 | |
| SCHEMBL7526697 | 0.74 | — | — |
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 |