Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7896088 | 1.00 | CYP2A6 (0.51) | CYP2A6CA2CA12EGFRTLR9 | |
| SCHEMBL7907841 | 0.81 | PGR (0.49) | CYP2A6CA2CA12EGFR | |
| SCHEMBL7907844 | 0.81 | PGR (0.49) | CYP2A6CA2CA12EGFR | |
| SCHEMBL29022475 | 0.79 | RELA (0.56) | EGFRTLR9 | |
| SCHEMBL30987464 | 0.79 | RELA (0.56) | EGFRTLR9 | |
| SCHEMBL4449899 | 0.78 | CYP2A6 (0.59) | CYP2A6CTNNB1WNT3ANFE2L2IDO1 | |
| SCHEMBL17821821 | 0.73 | CYP2A6 (0.61) | CYP2A6CTNNB1WNT3AIDO1 | |
| SCHEMBL17821819 | 0.73 | CYP2A6 (0.61) | CYP2A6CTNNB1WNT3AIDO1 | |
| SCHEMBL5572469 | 0.72 | TLR9 (0.64) | EGFRTLR9NFE2L2 | |
| SCHEMBL29149692 | 0.72 | TLR9 (0.64) | EGFRTLR9NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6201131-B1 | REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-03-13 | — | — | US | disclosed |