Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LATS1 | O95835 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 2/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27173031 | 1.00 | KCNH2 (0.45) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL30730426 | 0.99 | KCNH2 (0.45) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL27173108 | 0.99 | KCNH2 (0.45) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL23165056 | 0.80 | KCNH2 (0.45) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| SCHEMBL30730406 | 0.76 | MAPT (0.38) | CYP1A2CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL27172962 | 0.76 | MAPT (0.38) | CYP1A2CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL31727692 | 0.73 | MAPT (0.41) | MAPT | |
| SCHEMBL18159371 | 0.72 | ROCK2 (0.42) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| SCHEMBL18159372 | 0.72 | ROCK2 (0.42) | KCNH2LATS1GSK3BROCK2ROCK1 | |
| SCHEMBL18152220 | 0.72 | ROCK2 (0.42) | KCNH2LATS1GSK3BROCK2ROCK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119119063-A | Pyridine derivatives having N-linked cyclic substituents as cGAS inhibitors | 勃林格殷格翰国际有限公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-119119062-A | Pyridine derivatives having N-linked cyclic substituents as cGAS inhibitors | 勃林格殷格翰国际有限公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-117337292-A | Pyridine derivatives having N-linked cyclic substituents as cGAS inhibitors | 勃林格殷格翰国际有限公司 | 2024-01-02 | — | — | CN | disclosed |