Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL18692007 | 0.83 | CYP2A6 (0.33) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL28471616 | 0.71 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL1097671 | 0.71 | CYP2A6 (0.42) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL15780712 | 0.71 | CYP2A6 (0.35) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL15057591 | 0.67 | CYP1A2 (0.36) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL4079696 | 0.67 | CYP2A6 (0.42) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL4897405 | 0.67 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL2008998 | 0.67 | ALDH1A1 (0.42) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL286416 | 0.67 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10TDP1TSHR | |
| SCHEMBL21179481 | 0.67 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10TDP1TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097429-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2009-09-09 | — | — | EP | claimed |
| WO-2008065448-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-05 | — | — | WO | claimed |
| EP-2521616-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | Lucite International UK Limited (GB) | 2012-11-14 | — | — | EP | disclosed |
| EP-2512670-A1 | IMPROVED CARBONYLATION PROCESS | Lucite International UK Limited (GB) | 2012-10-24 | — | — | EP | disclosed |
| EP-2513031-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | Lucite International UK Limited (GB) | 2012-10-24 | — | — | EP | disclosed |
| EP-2167232-A1 | A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM | Lucite International UK Limited (GB) | 2010-03-31 | — | — | EP | disclosed |
| WO-2010001174-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2010-01-07 | — | — | WO | disclosed |
| EP-2097429-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| EP-2094635-A1 | CARBONYLATION OF CONJUGATED DIENES | Lucite International UK Limited (GB) | 2009-09-02 | — | — | EP | disclosed |
| WO-2009010782-A1 | A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM | LUCITE INTERNATIONAL UK LIMITED (GB) | 2009-01-22 | — | — | WO | disclosed |
| EP-2007703-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2008-12-31 | — | — | EP | disclosed |
| WO-2008075108-A1 | CARBONYLATION OF CONJUGATED DIENES | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008065448-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-05 | — | — | WO | disclosed |
| WO-2007119079-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2007-10-25 | — | — | WO | disclosed |