Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.66 |
| ▸ | ESR1 | P03372 | 5/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | AR | P10275 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | ESRRG | P62508 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bisphenol A SCHEMBL10477991 | 0.98 | ESR2 (0.68) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL27541225 | 0.95 | ESR2 (0.59) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL9679841 | 0.93 | ESR1 (0.67) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| Bisphenol A SCHEMBL9419575 | 0.93 | ESR1 (0.67) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL18707961 | 0.91 | ESR1 (0.54) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL18630499 | 0.88 | ESR2 (0.59) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL23430837 | 0.87 | ESR1 (0.50) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| Bisphenol A SCHEMBL11017592 | 0.86 | ESR2 (0.66) | ESR2ESR1CYP3A4ALDH1A1HSD11B1 | |
| SCHEMBL7937451 | 0.84 | HTR6 (0.70) | ESR1HSD11B1HTR6HPGDTSHR | |
| SCHEMBL312518 | 0.84 | HTR6 (0.70) | ESR1HSD11B1HTR6HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |