Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | KCNN4 | O15554 | 6/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929172 | 0.91 | KCNN4 (0.50) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL16191248 | 0.89 | KCNN4 (0.50) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL16192439 | 0.88 | ESR1 (0.50) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL27969257 | 0.83 | TAAR1 (0.51) | ESR1ESR2KCNN4KIF11 | |
| SCHEMBL16395798 | 0.82 | TSHR (0.52) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL17931719 | 0.82 | ESR1 (0.60) | ESR1ESR2KCNN4CYP3A4ALDH1A1 | |
| SCHEMBL4348723 | 0.82 | ESR1 (0.52) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL3947712 | 0.82 | ESR1 (0.52) | ESR1ESR2KCNN4CYP19A1CYP3A4 | |
| SCHEMBL179310 | 0.78 | KCNN4 (0.50) | KCNN4CYP19A1ALDH1A1ACHENFE2L2 | |
| SCHEMBL25134589 | 0.76 | KCNN4 (0.48) | KCNN4CYP19A1ACHENFE2L2TSHR |
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 |