Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28183730 | 0.81 | HTR2A (0.45) | — | |
| SCHEMBL196258 | 0.81 | HTR2A (0.45) | — | |
| Hydrochloric Acid SCHEMBL28344043 | 0.79 | HTR2A (0.44) | — | |
| SCHEMBL23527428 | 0.79 | CYP17A1 (0.50) | CYP17A1BDKRB2CHRNB2CHRNA4PTGS2 | |
| SCHEMBL5167355 | 0.78 | CYP17A1 (0.49) | CYP17A1BDKRB2CHRNB2CHRNA4MME | |
| SCHEMBL9619448 | 0.76 | AOC3 (0.47) | — | |
| SCHEMBL17906495 | 0.75 | CHRNB2 (0.52) | CYP17A1BDKRB2CHRNB2CHRNA4MME | |
| Hexane SCHEMBL27634303 | 0.75 | PTGS2 (0.47) | CYP17A1CHRNB2CHRNA4PTGS2POLB | |
| SCHEMBL13670523 | 0.74 | LMNA (0.48) | CYP17A1PTGS2 | |
| Hydrochloric Acid SCHEMBL9619310 | 0.74 | AOC3 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011073655-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | LUCITE INTERNATIONAL UK LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |