Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | AR | P10275 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | HTR6 | P50406 | 1/20 | 0.59 |
| ▸ | ESRRG | P62508 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
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 SCHEMBL5053970 | 0.98 | ESR1 (0.70) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| SCHEMBL11420172 | 0.92 | ALDH1A1 (0.61) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| SCHEMBL11223972 | 0.89 | ESR1 (0.68) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| SCHEMBL16079754 | 0.87 | ESR1 (0.61) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| Bisphenol A SCHEMBL5935233 | 0.87 | ESR1 (0.70) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| Benzoic Acid SCHEMBL27569004 | 0.85 | ESR1 (0.74) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| SCHEMBL16078745 | 0.85 | ELANE (0.59) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL23683863 | 0.84 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL21681661 | 0.84 | ESR1 (0.87) | ESR1ESR2CYP3A4ALDH1A1RAB9A | |
| Bisphenol A SCHEMBL4809570 | 0.84 | ESR1 (0.79) | ESR1ESR2CYP3A4ALDH1A1RAB9A |
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 |