Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.52 |
| ▸ | CES2 | O00748 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL2154882 | 1.00 | CES1 (0.52) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL19185622 | 0.94 | CES1 (0.58) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL1241 | 0.94 | — | — | |
| Benzoyl Chloride SCHEMBL1331834 | 0.94 | — | — | |
| Benzoyl Chloride SCHEMBL14359354 | 0.94 | CES1 (0.58) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL8995857 | 0.94 | CES1 (0.58) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL27566009 | 0.92 | CES1 (0.50) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL4973993 | 0.92 | CES1 (0.55) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL2033224 | 0.92 | CES1 (0.55) | CES1CES2TSHRALDH1A1DAO | |
| Benzoyl Chloride SCHEMBL2579227 | 0.92 | CES1 (0.55) | CES1CES2TSHRALDH1A1DAO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2519532-A1 | PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS | Chevron Phillips Chemical Company LP (US) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011082192-A1 | PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2011-07-07 | — | — | WO | disclosed |