Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.79 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.70 |
| ▸ | HTR6 | P50406 | 1/20 | 0.70 |
| ▸ | ESRRG | P62508 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | MMP3 | P08254 | 1/20 | 0.65 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.65 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 SCHEMBL2238001 | 0.98 | ESR1 (0.83) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL16505951 | 0.96 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1AR | |
| Bisphenol A SCHEMBL5141906 | 0.91 | ESR1 (0.84) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL9785062 | 0.91 | ESR1 (0.84) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL3149692 | 0.91 | ESR1 (0.84) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL6277528 | 0.91 | ESR1 (0.84) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL51117 | 0.89 | ESR1 (1.00) | ESR1ESR2CYP3A4ALDH1A1AR | |
| Phenol SCHEMBL1651212 | 0.89 | ESR1 (0.91) | ESR1ESR2CYP3A4ALDH1A1AR | |
| SCHEMBL9353524 | 0.89 | ESR1 (1.00) | ESR1ESR2CYP3A4ALDH1A1AR | |
| Bisphenol A SCHEMBL3813565 | 0.89 | ESR1 (0.91) | ESR1ESR2CYP3A4ALDH1A1AR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1272884-A | Adipocyte-specific protein homologs | ZYMOGENETICS INC (US) | 2000-11-08 | — | — | CN | disclosed |
| CN-1263882-A | Method for preparing fluorine-substituted aromatic compound | MITSUI CHEMICALS INC (JP) | 2000-08-23 | — | — | CN | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |