Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6186797 | 0.84 | CA1 (0.38) | MAPTHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL6184572 | 0.76 | TRPA1 (0.38) | MAPTMEN1KMT2AKDM4EESR1 | |
| SCHEMBL6184401 | 0.75 | AR (0.41) | GAAMAPTMEN1KMT2AHPGD | |
| SCHEMBL6184452 | 0.73 | ESR1 (0.32) | MEN1KMT2AESR1ESR2 | |
| SCHEMBL2319403 | 0.71 | CA1 (0.48) | GAAMAPTMEN1KMT2AHPGD | |
| SCHEMBL2045458 | 0.68 | GPR35 (0.45) | GAAMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL10643344 | 0.65 | HTR2C (0.43) | ALDH1A1HTR2AHTR2CHTR2BTSHR | |
| SCHEMBL28419631 | 0.65 | ENPP2 (0.32) | — | |
| SCHEMBL34475986 | 0.65 | ALDH1A1 (0.45) | GAAMAPTMEN1KMT2AHPGD | |
| SCHEMBL8072909 | 0.65 | ALDH1A1 (0.49) | GAAMAPTHPGDKDM4EALDH1A1 |
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 |