Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865764 | 0.82 | SLC6A2 (0.53) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL311387 | 0.82 | ESR1 (0.56) | ESR1ESR2CYP3A4ALDH1A1MEN1 | |
| SCHEMBL8976239 | 0.81 | ESR1 (0.56) | ESR1ESR2CYP3A4ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8866021 | 0.81 | SLC6A2 (0.52) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL20492109 | 0.77 | KIF11 (0.53) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL28674136 | 0.76 | ESR1 (0.48) | ESR1ESR2CYP3A4ALDH1A1MEN1 | |
| SCHEMBL10656617 | 0.75 | ESR1 (0.58) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL8866151 | 0.75 | BLM (0.56) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL7837799 | 0.75 | ESR1 (0.56) | ESR1ESR2CYP3A4ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8865821 | 0.74 | BLM (0.54) | ESR1ESR2CYP3A4ALDH1A1SLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1305852-C | Diaryl ethers as opioid receptor antagonists | LILLY CO ELI (US) | 2007-03-21 | — | — | CN | disclosed |
| CN-1681498-A | Diaryl ethers as opioid receptor antagonist | LILLY CO ELI (US) | 2005-10-12 | — | — | CN | disclosed |
| WO-2004026305-A9 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | LILLY CO ELI (US) | 2004-05-13 | — | — | WO | disclosed |