Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL29534836 | 0.85 | CYP3A4 (0.36) | CYP3A4TDP1NFE2L2 | |
| SCHEMBL2154086 | 0.85 | CYP3A4 (0.36) | CYP3A4TDP1NFE2L2 | |
| SCHEMBL15530040 | 0.83 | AR (0.32) | CYP3A4AR | |
| SCHEMBL30788458 | 0.79 | PDK2 (0.33) | TDP1 | |
| SCHEMBL8033180 | 0.78 | TDP1 (0.45) | CYP3A4TDP1 | |
| SCHEMBL9678413 | 0.76 | CES2 (0.36) | CES2BCHECES1CYP3A4TDP1 | |
| Acetic Acid SCHEMBL30620655 | 0.72 | CES2 (0.41) | CES2BCHECES1CYP3A4TDP1 | |
| SCHEMBL2154455 | 0.71 | NFE2L2 (0.42) | CES2CES1CYP3A4TDP1NFE2L2 | |
| SCHEMBL29534939 | 0.71 | NFE2L2 (0.42) | CES2CES1CYP3A4TDP1NFE2L2 | |
| SCHEMBL2154282 | 0.71 | ACHE (0.38) | CES2CES1NFE2L2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0725072-A1 | Process for the preparation of arylphosphinic acid alkylesters | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-07 | — | — | EP | claimed |
| US-6077968-A | Process for the preparation of alkyl arylphosphinites | CELANESE GMBH (DE) | 2000-06-20 | — | — | US | disclosed |
| US-5705669-A | DEHYDROHALOGENATION A HALOPHOSPHINE, REACTION WITH ALCOHOL AND NEUTRALIZATION WITH ALCOHOL | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |
| EP-0725072-A1 | Process for the preparation of arylphosphinic acid alkylesters | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-07 | — | — | EP | disclosed |