Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4392254 | 0.79 | CYP2D6 (0.45) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL20536090 | 0.79 | CYP2D6 (0.54) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9820679 | 0.78 | CYP2D6 (0.60) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL3334971 | 0.78 | CYP2D6 (0.48) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8480869 | 0.75 | MAPK1 (0.45) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17513224 | 0.74 | CYP2D6 (0.39) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL3265533 | 0.72 | DRD1 (0.44) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10527232 | 0.71 | MEN1 (0.59) | CYP2D6KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL3696691 | 0.70 | ALDH1A1 (0.43) | CYP2D6CYP3A4CYP1A2ALDH1A1LMNA | |
| SCHEMBL2475044 | 0.69 | KMT2A (0.56) | CYP2D6CYP3A4CYP1A2ALDH1A1LMNA |
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 |