Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27987298 | 0.84 | SLC6A4 (0.47) | ALDH1A1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27760398 | 0.82 | RXRA (0.41) | CHRNB2CHRNA4ALDH1A1KIF11SLC6A2 | |
| SCHEMBL27968853 | 0.76 | ALOX5 (0.35) | CYP17A1ALDH1A1TAAR1KIF11FASN | |
| SCHEMBL26826452 | 0.76 | PTGS2 (0.50) | PTGS2CYP17A1CHRNB2CHRNA4ACP3 | |
| SCHEMBL6721043 | 0.72 | PTGS2 (0.43) | PTGS2CYP17A1CHRNB2CHRNA4TAAR1 | |
| Biphenyl SCHEMBL27775455 | 0.70 | ALDH1A1 (0.60) | ALDH1A1TAAR1KIF11CYP3A4SLC6A4 | |
| Biphenyl SCHEMBL3105248 | 0.70 | ALDH1A1 (0.60) | PTGS2ALDH1A1TAAR1CYP3A4SLC6A4 | |
| Biphenyl SCHEMBL9503944 | 0.70 | ALDH1A1 (0.60) | PTGS2ALDH1A1TAAR1CYP3A4SLC6A4 | |
| SCHEMBL17892366 | 0.70 | PTGS2 (0.54) | PTGS2CYP17A1CHRNB2CHRNA4ACP3 | |
| Biphenyl SCHEMBL27745920 | 0.69 | ALDH1A1 (0.69) | ALDH1A1TAAR1KIF11CYP3A4SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073653-A1 | IMPROVED CARBONYLATION PROCESS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073655-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | LUCITE INTERNATIONAL UK LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |