Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4418570 | 0.84 | HTT (0.49) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| Hydrochloric Acid SCHEMBL11398017 | 0.82 | HTT (0.47) | CHRNA7CYP2A6CYP1A2CYP2D6HRH4 | |
| SCHEMBL14193177 | 0.81 | CHRNA7 (0.56) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A | |
| SCHEMBL6795127 | 0.81 | CHRNA7 (0.56) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A | |
| Hydrochloric Acid SCHEMBL3244537 | 0.80 | CHRNA7 (0.54) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A | |
| SCHEMBL724866 | 0.80 | CHRNA7 (0.74) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL29485692 | 0.80 | CHRNA7 (0.74) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL21154743 | 0.79 | CYP1A2 (0.53) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A | |
| SCHEMBL28480379 | 0.79 | CYP1A2 (0.53) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A | |
| SCHEMBL8700016 | 0.78 | CYP1A2 (0.66) | CHRNA7CYP2A6CYP1A2CYP2D6HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562595-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |