Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6284683 | 0.82 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL11337112 | 0.80 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1TSHRKEAP1 | |
| SCHEMBL23280361 | 0.79 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL104783 | 0.79 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3SIGMAR1CYP3A4 | |
| SCHEMBL28097911 | 0.77 | PRKCI (0.37) | ALDH1A1CASP1CASP7TSHR | |
| SCHEMBL2443506 | 0.77 | FDPS (0.40) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL29443967 | 0.76 | CYP3A4 (0.43) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL43944 | 0.76 | CYP3A4 (0.43) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL8467467 | 0.76 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL20870720 | 0.76 | TYR (0.46) | SLC6A2SLC6A4SLC6A3SIGMAR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562595-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004026305-A9 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | LILLY CO ELI (US) | 2004-05-13 | — | — | WO | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |