Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184401 | 0.82 | AR (0.41) | ADORA3ARHSD11B1AKR1C3MEN1 | |
| SCHEMBL6184452 | 0.80 | ESR1 (0.32) | ACHEESR1ESR2MEN1KMT2A | |
| SCHEMBL6186797 | 0.80 | CA1 (0.38) | ACHEESR1ESR2MAPTKDM4E | |
| SCHEMBL2045458 | 0.77 | GPR35 (0.45) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL6185960 | 0.76 | GAA (0.33) | ADORA3ESR1ESR2MEN1KMT2A | |
| SCHEMBL10643344 | 0.75 | HTR2C (0.43) | ACHESLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL22781622 | 0.72 | HTR2C (0.42) | TRPA1ATMACHEHTR2C | |
| SCHEMBL930210 | 0.72 | HTR2C (0.48) | TRPA1ATMACHEMEN1KMT2A | |
| SCHEMBL28419631 | 0.71 | ENPP2 (0.32) | — | |
| SCHEMBL16499007 | 0.70 | CYP2C9 (0.46) | AKR1C3MAPTKDM4E |
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 |