Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.44 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL28976167 | 0.91 | TGFBR1 (0.42) | IRAK4TGFBR1TGFBR2BRAFPDE10A | |
| SCHEMBL29911648 | 0.91 | IRAK4 (0.46) | IRAK4TGFBR1CYP2A6BRAFPDE10A | |
| SCHEMBL29911729 | 0.89 | IRAK4 (0.47) | IRAK4TGFBR1TGFBR2BRAFPDE10A | |
| SCHEMBL29911649 | 0.85 | TGFBR1 (0.40) | IRAK4TGFBR1TGFBR2CSNK1DCSNK1E | |
| SCHEMBL29504529 | 0.84 | CYP2A6 (0.54) | TGFBR1TGFBR2CYP2A6F2F12 | |
| SCHEMBL29911868 | 0.83 | ACVR1 (0.44) | IRAK4TGFBR1TGFBR2CYP2A6ACVR1 | |
| Hydrochloric Acid SCHEMBL29504512 | 0.83 | CYP2A6 (0.52) | TGFBR1TGFBR2CYP2A6F2F12 | |
| SCHEMBL29911584 | 0.82 | BRAF (0.44) | IRAK4TGFBR1TGFBR2BRAFPDE10A | |
| SCHEMBL29911853 | 0.79 | IRAK4 (0.44) | IRAK4TGFBR1TGFBR2CYP2A6ACVR1 | |
| SCHEMBL29504504 | 0.77 | MKNK1 (0.51) | CYP2A6ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115531387-A | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-110234637-B | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-11-01 | — | — | CN | claimed |
| EP-3532465-B1 | PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS | RIGEL PHARMACEUTICALS INC (US) | 2023-03-01 | — | — | EP | disclosed |
| CN-115531387-A | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-110234637-B | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-11-01 | — | — | CN | disclosed |