Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Styrene SCHEMBL26089496 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TSHRRELANFE2L2TRPA1 | |
| SCHEMBL952396 | 0.85 | RELA (0.54) | ALDH1A1RELANFE2L2TRPA1MAOB | |
| SCHEMBL81307 | 0.85 | RELA (0.54) | ALDH1A1RELANFE2L2TRPA1MAOB | |
| Hydrochloric Acid SCHEMBL9225053 | 0.83 | RELA (0.52) | ALDH1A1RELANFE2L2TRPA1MAOB | |
| Water SCHEMBL27350733 | 0.83 | RELA (0.52) | ALDH1A1RELANFE2L2TRPA1MAOB | |
| (Z)-1,2-Diphenylethene SCHEMBL10982590 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRRELANFE2L2TRPA1 | |
| (Z)-1,2-Diphenylethene SCHEMBL10982588 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRRELANFE2L2TRPA1 | |
| Styrene SCHEMBL6460073 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TSHRRELANFE2L2TRPA1 | |
| SCHEMBL5804705 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRRELANFE2L2TRPA1 | |
| Styrene SCHEMBL5670947 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRRELANFE2L2TRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979300-A2 | A METHOD OF TREATING AN ALDEHYDE MIXTURE, USE OF THE TREATED ALDEHYDE, AND AN ALCOHOL | Shell Internationale Research Maatschappij B.V. (NL) | 2008-10-15 | — | — | EP | disclosed |
| US-7385090-B2 | Method of treating an aldehyde mixture, use of the treated aldehyde, and an alcohol | SHELL OIL COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| WO-2007090158-A2 | A METHOD OF TREATING AN ALDEHYDE MIXTURE, USE OF THE TREATED ALDEHYDE, AND AN ALCOHOL | SHELL OIL COMPANY (US) | 2007-08-09 | — | — | WO | disclosed |
| US-20070179322-A1 | In the preparation of 1,3-propylene glycol by the hydroformylation of ethylene oxide, the aqueous solution of the 3-hydroxypropionaldehyde intermediate is purified by using basic and acidic ion exchangers to remove carboxylic acid and catalytic metal residue, respectively; by-product inhibition | SHELL OIL COMPANY | 2007-08-02 | — | — | US | disclosed |