Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | TACR1 | P25103 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | TACR2 | P21452 | 5/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL16115756 | 1.00 | TACR3 (0.74) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627720 | 0.87 | TACR3 (0.67) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17005226 | 0.85 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627826 | 0.85 | TACR3 (0.64) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17005238 | 0.84 | TACR3 (0.63) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17005239 | 0.84 | TACR3 (0.63) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627839 | 0.84 | TACR3 (0.63) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16143075 | 0.83 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16114677 | 0.82 | TACR3 (1.00) | TACR3KCNH2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30627746 | 0.82 | TACR3 (0.86) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260180-B | Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115260180-A | Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |