Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL3078026 | 0.79 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL18184950 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL23159850 | 0.76 | ALOX15 (0.47) | ALDH1A1SIGMAR1GAATDP1MAPT | |
| SCHEMBL23159894 | 0.76 | ALOX15 (0.47) | ALDH1A1SIGMAR1GAATDP1MAPT | |
| SCHEMBL4339086 | 0.76 | IRAK4 (0.47) | ALDH1A1KDM4EGAATDP1MAPT | |
| SCHEMBL6284703 | 0.76 | SIGMAR1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL28219741 | 0.75 | CD44 (0.36) | CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL3065473 | 0.74 | CYP1A2 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Isopropylamine SCHEMBL27685332 | 0.74 | TLR8 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL6004011 | 0.74 | SIGMAR1 (0.46) | ALDH1A1SIGMAR1GAATDP1MAPT |
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 |