Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3947712 | 0.89 | ESR1 (0.52) | TSHRESR1CYP3A4ESR2AR | |
| SCHEMBL4348723 | 0.89 | ESR1 (0.52) | TSHRESR1CYP3A4ESR2AR | |
| SCHEMBL5694455 | 0.89 | TSHR (0.52) | TSHRESR1CYP3A4ESR2AR | |
| Chloromethane SCHEMBL27654425 | 0.87 | PAX8 (0.48) | PAX8TSHRALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL168026 | 0.87 | ALDH1A1 (0.53) | PAX8TSHRALDH1A1CYP1A1CYP1B1 | |
| Bromomethane SCHEMBL27825372 | 0.84 | PAX8 (0.47) | PAX8TSHRALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL12937240 | 0.82 | SMN1; SMN2 (0.53) | TSHRESR1CYP3A4ESR2AR | |
| SCHEMBL17935746 | 0.80 | ALDH1A1 (0.70) | TSHRESR1CYP3A4ESR2AR | |
| SCHEMBL7935779 | 0.80 | ACHE (0.65) | TSHRESR1CYP3A4ESR2AR | |
| SCHEMBL17931719 | 0.80 | ESR1 (0.60) | TSHRESR1CYP3A4ESR2AR |
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 |