Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16343218 | 0.83 | KDM4E (0.32) | KDM4E | |
| SCHEMBL16525002 | 0.81 | HTT (0.33) | ALDH1A1KCNH2HTT | |
| SCHEMBL1736264 | 0.80 | HSD17B10 (0.38) | ALDH1A1CYP2D6KDM4EMAPTHPGD | |
| SCHEMBL29703806 | 0.80 | HSD17B10 (0.38) | ALDH1A1CYP2D6KDM4EMAPTHPGD | |
| SCHEMBL16343345 | 0.80 | CYP3A4 (0.33) | CYP3A4KDM4EMEN1MAPTKMT2A | |
| SCHEMBL2145669 | 0.78 | MEN1 (0.34) | CYP3A4MEN1KMT2A | |
| SCHEMBL1423533 | 0.78 | CYP2A6 (0.34) | ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL16343144 | 0.77 | — | — | |
| SCHEMBL16343275 | 0.76 | NCF1 (0.33) | ALDH1A1KDM4EMEN1MAPTHPGD | |
| SCHEMBL16524845 | 0.74 | KIF11 (0.37) | CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8969560-B2 | Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands | LUCITE INTERNATIONAL UK LIMITED (GB) | 2015-03-03 | — | — | US | claimed |
| US-20150011758-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | Mitsubishi Chemical UK Limited (GB) | 2015-01-08 | — | — | US | claimed |