Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696154 | 0.81 | CYP2D6 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL27549039 | 0.80 | PPARD (0.44) | PPARDCARM1PRMT6KDM4EALDH1A1 | |
| SCHEMBL2857170 | 0.71 | HTR5A (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL2854484 | 0.70 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL31132631 | 0.69 | HSPB1 (0.50) | KDM4EMEN1KMT2A | |
| SCHEMBL3701411 | 0.67 | OPRM1 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL1397549 | 0.66 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL31132488 | 0.65 | MAPT (0.44) | KDM4EMEN1KMT2A | |
| SCHEMBL3699258 | 0.65 | OPRM1 (0.71) | CYP2D6CYP2C9CYP2C19ROCK1 | |
| SCHEMBL11089154 | 0.65 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C9CYP2C19ROCK1 |
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 |