Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 5/20 | 0.40 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20154945 | 0.83 | EPAS1 (0.62) | MEP1BALDH1A1EPAS1SLC22A12BRD4 | |
| SCHEMBL16651491 | 0.77 | BRD4 (0.55) | BRD4 | |
| SCHEMBL3203639 | 0.74 | MEP1B (0.46) | MEP1BALDH1A1 | |
| SCHEMBL20155378 | 0.73 | TRPA1 (0.35) | BRD4 | |
| SCHEMBL16195782 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TSHRPNMT | |
| SCHEMBL29956502 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TSHRPNMT | |
| SCHEMBL28505143 | 0.72 | ENPP2 (0.48) | ALDH1A1 | |
| SCHEMBL13595012 | 0.70 | GBA1 (0.56) | ALDH1A1BRD4 | |
| SCHEMBL6290082 | 0.69 | ALDH1A1 (0.68) | MEP1BALDH1A1TSHR | |
| SCHEMBL15068027 | 0.69 | SCN8A (0.46) | EPAS1BRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |