Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.56 |
| ▸ | ATR | Q13535 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 4/20 | 0.41 |
| ▸ | BCR | P11274 | 4/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | ESYT2 | A0FGR8 | 1/20 | 0.40 |
| ▸ | HACL2 | A1L0T0 | 1/20 | 0.40 |
| ▸ | NBAS | A2RRP1 | 1/20 | 0.40 |
| ▸ | GTPBP10 | A4D1E9 | 1/20 | 0.40 |
| ▸ | CNOT1 | A5YKK6 | 1/20 | 0.40 |
| ▸ | TBKBP1 | A7MCY6 | 1/20 | 0.40 |
| ▸ | AGPS | O00116 | 1/20 | 0.40 |
| ▸ | ACOT7 | O00154 | 1/20 | 0.40 |
| ▸ | MYO1F | O00160 | 1/20 | 0.40 |
| ▸ | SNAP23 | O00161 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29911867 | 0.91 | IRAK4 (0.58) | IRAK4ATRABL1BCRPDGFRB | |
| SCHEMBL29911734 | 0.89 | IRAK4 (0.52) | IRAK4ATRABL1BCRPDGFRB | |
| SCHEMBL20086030 | 0.87 | IRAK4 (0.70) | IRAK4KCNH2 | |
| SCHEMBL30261665 | 0.87 | IRAK4 (0.70) | IRAK4KCNH2 | |
| SCHEMBL28976258 | 0.86 | IRAK4 (0.54) | IRAK4ATRABL1BCRPDGFRB | |
| SCHEMBL29911657 | 0.83 | IRAK4 (0.49) | IRAK4ABL1BCRPDGFRBEGFR | |
| Hydrochloric Acid SCHEMBL29911751 | 0.83 | IRAK4 (0.49) | IRAK4ABL1BCRPDGFRBEGFR | |
| SCHEMBL29911864 | 0.82 | IRAK4 (0.53) | IRAK4ABL1BCRPIM1PIM3 | |
| SCHEMBL29911831 | 0.81 | IRAK4 (0.57) | IRAK4ATRKCNH2HDAC1HDAC2 | |
| SCHEMBL29911856 | 0.81 | IRAK4 (0.52) | IRAK4ABL1BCRPIM1ALDH1A1 |
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 4 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 |
| 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 |