Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | RAPGEF3 | O95398 | 2/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19748916 | 0.88 | ALDH1A1 (0.35) | ALDH1A1ALDH1A3ALDH3A1MAPK1VCP | |
| SCHEMBL29655021 | 0.88 | ALDH1A1 (0.35) | ALDH1A1ALDH1A3ALDH3A1MAPK1VCP | |
| SCHEMBL28413293 | 0.84 | ALDH1A1 (0.33) | ALDH1A1ALDH1A3ALDH3A1MAPK1 | |
| SCHEMBL19451784 | 0.78 | XDH (0.50) | ALDH1A1ALDH1A3ALDH3A1MAPK1VCP | |
| SCHEMBL31607300 | 0.78 | XDH (0.50) | ALDH1A1ALDH1A3ALDH3A1MAPK1VCP | |
| SCHEMBL7814448 | 0.78 | APEX1 (0.45) | ALDH1A1ALDH1A3ALDH3A1MAPK1ERN1 | |
| SCHEMBL31063495 | 0.75 | ERN1 (0.44) | ALDH1A3ERN1 | |
| SCHEMBL22490227 | 0.75 | ALDH1A3 (0.37) | ALDH1A1ALDH1A3ALDH3A1MAPK1VCP | |
| SCHEMBL987816 | 0.75 | ERN1 (0.44) | ALDH1A3ERN1 | |
| SCHEMBL6735248 | 0.74 | ALDH1A1 (0.42) | ALDH1A1ERN1CYP2A6KDM4EPTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390336-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2004-02-25 | — | — | EP | claimed |
| WO-2002096849-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2002-12-05 | — | — | WO | claimed |
| CN-107935894-A | A kind of more sulfydryl substituted aryl compounds and preparation method | 东丽先端材料研究开发（中国）有限公司 | 2018-04-20 | — | — | CN | disclosed |
| EP-1390336-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096849-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2002-12-05 | — | — | WO | disclosed |