Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.60 |
| ▸ | HSD11B1 | P28845 | 10/20 | 0.59 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.44 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.44 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.44 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10052278 | 0.91 | HSD11B1 (0.51) | ESR1ESR2HSD11B1HTR6ABCC9 | |
| SCHEMBL14288322 | 0.84 | ESR1 (0.56) | ESR1ESR2HSD11B1MEN1KMT2A | |
| SCHEMBL27513424 | 0.83 | HSD11B1 (0.53) | ESR1ESR2HSD11B1HTR6ABCC9 | |
| Phenol SCHEMBL8427030 | 0.82 | ESR1 (0.82) | ESR1ESR2HTR6MEN1CYP3A4 | |
| SCHEMBL8488305 | 0.82 | ESR1 (0.82) | ESR1ESR2HTR6CYP3A4TSHR | |
| SCHEMBL312518 | 0.82 | HTR6 (0.70) | ESR1HSD11B1HTR6MEN1TSHR | |
| SCHEMBL7937451 | 0.82 | HTR6 (0.70) | ESR1HSD11B1HTR6MEN1TSHR | |
| (Phenylsulfonyl)Benzene SCHEMBL5483054 | 0.80 | HTR6 (0.74) | ESR1HTR6MEN1TSHRKMT2A | |
| SCHEMBL30625966 | 0.80 | ESR1 (0.95) | ESR1ESR2HTR6MEN1CYP3A4 | |
| SCHEMBL7937246 | 0.79 | ENPP2 (0.64) | ESR1ESR2 |
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 |