Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | TACR1 | P25103 | 3/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TACR2 | P21452 | 4/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL30627839 | 0.94 | TACR3 (0.63) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29967223 | 0.87 | TACR3 (0.74) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627779 | 0.83 | TACR3 (0.50) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627826 | 0.82 | TACR3 (0.64) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627726 | 0.81 | TACR3 (0.81) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29941569 | 0.81 | TACR3 (0.68) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17005283 | 0.80 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16143075 | 0.80 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16143073 | 0.80 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL26963887 | 0.80 | TACR3 (0.44) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112272670-B | Di-ring derivative-containing inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |