Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954743 | 0.81 | ALDH1A1 (0.52) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6378496 | 0.80 | AKR1C4 (0.45) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL659333 | 0.80 | AKR1C4 (0.67) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL18353928 | 0.80 | SMN1; SMN2 (0.40) | ALDH1A1MAPK1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL29613154 | 0.80 | AKR1C4 (0.67) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1614866 | 0.79 | AKR1C4 (0.65) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1311328 | 0.79 | ALDH1A1 (0.50) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10498598 | 0.79 | CYP3A4 (0.46) | ALDH1A1MAPK1TSHRHSD17B10HPGD | |
| SCHEMBL30386258 | 0.78 | AKR1C4 (0.44) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL15014131 | 0.78 | ALDH1A1 (0.53) | ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349823-B1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | CHEMTURA CORP (US) | 2007-11-21 | — | — | EP | claimed |
| EP-1349823-A1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | Crompton Corporation (US) | 2003-10-08 | — | — | EP | claimed |
| WO-2002055466-A1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | CROMPTON CORPORATION (US) | 2002-07-18 | — | — | WO | claimed |
| US-6410795-B1 | FORMING DIKETONES | CROMPTON CORPORATION | 2002-06-25 | — | — | US | claimed |
| EP-1349823-B1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | CHEMTURA CORP (US) | 2007-11-21 | — | — | EP | disclosed |
| EP-1349823-A1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | Crompton Corporation (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055466-A1 | PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR | CROMPTON CORPORATION (US) | 2002-07-18 | — | — | WO | disclosed |
| US-6410795-B1 | FORMING DIKETONES | CROMPTON CORPORATION | 2002-06-25 | — | — | US | disclosed |
| EP-0507013-B1 | Process for the preparation of aromatic beta-diketones | WITCO CORP (US) | 1996-02-07 | — | — | EP | disclosed |
| EP-0507013-A1 | Process for the preparation of aromatic beta-diketones | WITCO CORPORATION (US) | 1992-10-07 | — | — | EP | disclosed |
| US-5015777-A | Reaction of an acetophenone and an aliphatic ester or an ester of benzoic acid in the presence of sodium alkoxide condensation agent in an aromatic solvent | WITCO CORPORATION (US) | 1991-05-14 | — | — | US | disclosed |