Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185960 | 0.84 | GAA (0.33) | CA1CA2KDM4EALDH1A1MAPT | |
| SCHEMBL6184572 | 0.80 | TRPA1 (0.38) | MAPK1KDM4EMAPTACHEESR1 | |
| SCHEMBL6184401 | 0.79 | AR (0.41) | CA2CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL6184452 | 0.76 | ESR1 (0.32) | ACHEESR1ESR2 | |
| SCHEMBL27845122 | 0.75 | CA1 (0.46) | CA1CA2PTGS1CYP3A4MAPK1 | |
| SCHEMBL15011413 | 0.74 | DRD2 (0.41) | DRD2DRD1DRD3CYP19A1 | |
| SCHEMBL9007095 | 0.71 | CA1 (0.42) | CA1CA2CYP3A4MAPK1TP53 | |
| Methylene Chloride SCHEMBL28790522 | 0.71 | CA1 (0.42) | CA1CA2PTGS1CYP3A4MAPK1 | |
| SCHEMBL2045458 | 0.71 | GPR35 (0.45) | ALDH1A1MAPTESR1ESR2 | |
| SCHEMBL6226076 | 0.70 | TSHR (0.38) | ALDH1A1ACHETSHR |
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 3 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-A9 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | LILLY CO ELI (US) | 2004-05-13 | — | — | WO | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |