Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.76 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27029837 | 1.00 | HCRTR1 (0.76) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL1586887 | 0.86 | HCRTR1 (1.00) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27029853 | 0.84 | HCRTR1 (0.89) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27055025 | 0.84 | HCRTR1 (0.89) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27029826 | 0.83 | HCRTR1 (0.87) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27055028 | 0.83 | HCRTR1 (0.87) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27054986 | 0.83 | HCRTR1 (0.87) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL29931018 | 0.83 | HCRTR1 (0.64) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL27054948 | 0.83 | HCRTR1 (0.64) | HCRTR1HCRTR2CYP1A2 | |
| SCHEMBL29930918 | 0.83 | HCRTR1 (0.75) | HCRTR1HCRTR2CYP1A2 |
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-2022194122-A1 | NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2022-09-22 | — | — | WO | disclosed |