Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31122140 | 0.89 | HTR2B (0.45) | CYP2C19HTR2BACHEIRAK4DPP4 | |
| SCHEMBL31122120 | 0.80 | CLK2 (0.54) | CYP2C19HTR2BACHEIRAK4CLK2 | |
| SCHEMBL31708330 | 0.78 | TLR7 (0.46) | IRAK4ALDH1A1HPGD | |
| SCHEMBL31122131 | 0.77 | CYP2C19 (0.39) | CYP2C19HTR2BACHEIRAK4DPP4 | |
| SCHEMBL31122115 | 0.75 | HPGDS (0.40) | CYP2C19IRAK4PIM1HPGDS | |
| SCHEMBL25510326 | 0.75 | GRM2 (0.57) | CYP2C19HTR2BACHECYP2C9SCN9A | |
| Formic Acid SCHEMBL31708331 | 0.75 | TLR7 (0.43) | IRAK4ALDH1A1HPGD | |
| SCHEMBL31122144 | 0.70 | HTR2C (0.42) | CYP2C19HTR2BACHEIRAK4CLK2 | |
| SCHEMBL168519 | 0.69 | HTR2B (0.66) | CYP2C19HTR2BACHECYP2C9SCN9A | |
| SCHEMBL6202834 | 0.69 | HPGD (0.64) | CYP2C19HTR2BACHEIRAK4ALDH1A1 |
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-118510771-A | IRAK inhibitors for the treatment of conditions associated with cytokine release associated with respiratory viral infection | 里格尔药品股份有限公司 | 2024-08-16 | — | — | CN | disclosed |
| WO-2022187303-A1 | A METHOD FOR TREATING A DISEASE OR CONDITION USING A PYRAZOLE COMPOUND OR FORMULATION THEREOF | RIGEL PHARMACEUTICALS, INC. (US) | 2022-09-09 | — | — | WO | disclosed |