Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184452 | 0.82 | ESR1 (0.32) | MEN1KMT2A | |
| SCHEMBL6184572 | 0.82 | TRPA1 (0.38) | ARADORA3HSD11B1AKR1C3MEN1 | |
| SCHEMBL6186797 | 0.79 | CA1 (0.38) | HTR2ACYP3A4MAPTKDM4ECA12 | |
| SCHEMBL7263200 | 0.78 | HTR2A (0.47) | ARADORA3HSD11B1AKR1C3MEN1 | |
| SCHEMBL30317690 | 0.78 | AR (0.45) | ARADORA3HSD11B1AKR1C3MEN1 | |
| SCHEMBL10643344 | 0.77 | HTR2C (0.43) | HTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL2310552 | 0.77 | HTR2C (0.41) | MEN1KMT2AHTR2AHTR2CHTR2B | |
| SCHEMBL9796777 | 0.77 | HTR2A (0.40) | HTR2AHTR2CHTR2BLMNARECQL | |
| SCHEMBL28419631 | 0.77 | ENPP2 (0.32) | — | |
| SCHEMBL27536033 | 0.76 | HTR2A (0.46) | ARADORA3HSD11B1AKR1C3MEN1 |
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 |