Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.82 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.82 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.82 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.82 |
| ▸ | STAT3 | P40763 | 2/20 | 0.82 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.82 |
| ▸ | RELA | Q04206 | 2/20 | 0.82 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.82 |
| ▸ | APP | P05067 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | CA12 | O43570 | 2/20 | 0.70 |
| ▸ | CA1 | P00915 | 2/20 | 0.70 |
| ▸ | CA2 | P00918 | 2/20 | 0.70 |
| ▸ | CA3 | P07451 | 2/20 | 0.70 |
| ▸ | PKM | P14618 | 2/20 | 0.70 |
| ▸ | CA4 | P22748 | 2/20 | 0.70 |
| ▸ | CA6 | P23280 | 2/20 | 0.70 |
| ▸ | CA5A | P35218 | 2/20 | 0.70 |
| ▸ | SNCA | P37840 | 2/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL626599 | 1.00 | CYP2D6 (0.82) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL29478095 | 0.91 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL30668505 | 0.91 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL1493283 | 0.91 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL1493282 | 0.91 | CYP2D6 (1.00) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL3337939 | 0.88 | CYP1A2 (0.63) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL3337937 | 0.88 | CYP1A2 (0.63) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL29428460 | 0.88 | KDM4E (0.69) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL2744234 | 0.86 | CYP2D6 (0.91) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 | |
| SCHEMBL2744233 | 0.86 | CYP2D6 (0.91) | CYP2D6CYP1A2ALOX5NFKB1HSD11B1 |
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 6 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 |
| WO-2012021692-A1 | CURCUMIN ANALOGS AND METHODS OF USE THEREOF | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2010017323-A1 | NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2010-02-11 | — | — | WO | disclosed |
| 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 | disclosed |
| 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 | disclosed |