Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.64 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5250264 | 0.88 | TSHR (0.48) | ESR1ESR2KMT2ACYP3A4HPGD | |
| SCHEMBL526434 | 0.85 | ESR1 (0.52) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL36454 | 0.80 | ESR1 (1.00) | ESR1ESR2KEAP1MEN1KMT2A | |
| SCHEMBL2969737 | 0.80 | ESR1 (1.00) | ESR1ESR2KEAP1MEN1KMT2A | |
| SCHEMBL10664800 | 0.79 | TSHR (0.59) | LMNATSHRCA2 | |
| SCHEMBL7929288 | 0.78 | KIF11 (0.58) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL3649608 | 0.77 | MEN1 (0.66) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL7942894 | 0.77 | ESR1 (0.73) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL7938407 | 0.77 | IDO1 (0.41) | KMT2ALMNACYP3A4TSHR | |
| Bisphenol A SCHEMBL5291081 | 0.77 | ESR1 (0.73) | ESR1ESR2MEN1KMT2ALMNA |
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 |