Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.84 |
| ▸ | JUN | P05412 | 1/20 | 0.84 |
| ▸ | VCP | P55072 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | STAT3 | P40763 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557081 | 1.00 | NFKB1 (0.84) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL3207347 | 0.91 | NFKB1 (1.00) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL3207352 | 0.91 | NFKB1 (1.00) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL29428460 | 0.90 | KDM4E (0.69) | NFKB1JUNKDM4EALDH1A1HPGD | |
| SCHEMBL3674230 | 0.85 | JUN (0.82) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL3674227 | 0.85 | JUN (0.82) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL23136648 | 0.85 | JUN (0.82) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL20585522 | 0.85 | JUN (0.82) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL4906742 | 0.85 | NFKB1 (0.86) | NFKB1JUNVCPKDM4EALDH1A1 | |
| SCHEMBL4906735 | 0.85 | NFKB1 (0.86) | NFKB1JUNVCPKDM4EALDH1A1 |
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-2054365-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | Uniban - Universidade Bandeirante De São Paulo (BR) | 2009-05-06 | — | — | EP | claimed |
| WO-2008003155-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) | 2008-01-10 | — | — | WO | claimed |