Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 9/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529067 | 0.85 | CYP1A2 (0.60) | CYP1A2L3MBTL1F10MAPTCYP2C9 | |
| SCHEMBL8160058 | 0.81 | CYP1A2 (0.46) | CYP1A2L3MBTL1F10MAPTCYP3A4 | |
| SCHEMBL8148718 | 0.81 | CYP1A2 (0.43) | CYP1A2L3MBTL1F10MAPTCYP3A4 | |
| SCHEMBL6535853 | 0.79 | CYP1A2 (0.47) | CYP1A2L3MBTL1F10MAPTCYP3A4 | |
| SCHEMBL12545383 | 0.79 | CYP1A2 (0.43) | CYP1A2L3MBTL1F10MAPTCYP3A4 | |
| SCHEMBL28328775 | 0.78 | ALDH1A1 (0.49) | CYP1A2L3MBTL1F10 | |
| SCHEMBL8149820 | 0.78 | PDE5A (0.46) | CYP1A2L3MBTL1F10MAPTCYP3A4 | |
| SCHEMBL8164439 | 0.77 | ALDH1A1 (0.57) | CYP1A2L3MBTL1F10MAPT | |
| SCHEMBL16296617 | 0.76 | BIRC5 (0.47) | CYP1A2L3MBTL1MAPT | |
| SCHEMBL5097812 | 0.76 | F10 (0.40) | F10KLKB1 |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |