Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7903214 | 1.00 | CYP19A1 (0.59) | CYP19A1MAOAMAOBLMNANPSR1 | |
| SCHEMBL5572462 | 0.82 | TLR9 (0.64) | LMNANPSR1EGFRTLR9ALDH1A1 | |
| SCHEMBL29149692 | 0.82 | TLR9 (0.64) | LMNANPSR1EGFRTLR9ALDH1A1 | |
| SCHEMBL5572469 | 0.82 | TLR9 (0.64) | LMNANPSR1EGFRTLR9ALDH1A1 | |
| SCHEMBL29178152 | 0.80 | EGFR (0.55) | LMNAEGFRTLR9NPC1MAPT | |
| SCHEMBL29178134 | 0.80 | NFE2L2 (0.61) | EGFRTLR9NFE2L2 | |
| SCHEMBL29178136 | 0.80 | EGFR (0.51) | EGFRTLR9MAPTALDH1A1NFE2L2 | |
| SCHEMBL29178137 | 0.80 | NFE2L2 (0.61) | EGFRTLR9NFE2L2 | |
| SCHEMBL29178133 | 0.80 | EGFR (0.51) | EGFRTLR9MAPTALDH1A1NFE2L2 | |
| SCHEMBL29178150 | 0.80 | EGFR (0.55) | LMNAEGFRTLR9NPC1MAPT |
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 |