Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7523672 | 0.87 | BACE1 (0.39) | BACE1VCAM1 | |
| SCHEMBL7521996 | 0.87 | VCAM1 (0.38) | ALDH1A1KDM4EMAOBCYP1A1CYP1B1 | |
| SCHEMBL7520303 | 0.86 | VCAM1 (0.33) | ALDH1A1VCAM1 | |
| SCHEMBL7526592 | 0.85 | MEN1 (0.32) | ALDH1A1CYP2C19HPGDVCAM1CYP1A2 | |
| SCHEMBL7515902 | 0.83 | CA2 (0.41) | ALDH1A1USP2CYP1A2 | |
| SCHEMBL8517276 | 0.80 | ADORA3 (0.35) | BACE1ALDH1A1KDM4EHPGD | |
| SCHEMBL6261716 | 0.80 | VCAM1 (0.36) | BACE1ALDH1A1CYP2C19KDM4EUSP2 | |
| SCHEMBL8839500 | 0.78 | BACE1 (0.41) | BACE1ALDH1A1CYP2C19KDM4EUSP2 | |
| SCHEMBL6248869 | 0.76 | VCAM1 (0.45) | VCAM1 | |
| SCHEMBL7524096 | 0.75 | VCAM1 (0.38) | VCAM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5608095-A | Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-04 | — | — | US | disclosed |