Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1472111 | 0.85 | NLRP3 (0.40) | NLRP3ALDH1A1HTR1AHTR7SMN1; SMN2 | |
| SCHEMBL20261061 | 0.81 | NLRP3 (0.45) | CA12CA1CA2CA9NLRP3 | |
| SCHEMBL10154249 | 0.77 | NLRP3 (0.46) | CA12CA1CA2CA9NLRP3 | |
| SCHEMBL27395095 | 0.76 | NLRP3 (0.39) | CA1CA2NLRP3ALDH1A1HPGD | |
| SCHEMBL24153208 | 0.75 | NLRP3 (0.45) | NLRP3ALDH1A1HTR1AHTR7SMN1; SMN2 | |
| SCHEMBL15882612 | 0.75 | NLRP3 (0.48) | CA1CA2NLRP3ALDH1A1HTR1A | |
| SCHEMBL19422051 | 0.74 | BRD4 (0.41) | BRD4NLRP3ALDH1A1KCNH2HTR1A | |
| SCHEMBL24571360 | 0.74 | KMT2A (0.38) | BRD4NLRP3ALDH1A1KCNH2HTR1A | |
| SCHEMBL24465606 | 0.74 | PARG (0.43) | NLRP3TP53ALDH1A1MAPTHTR1A | |
| SCHEMBL27331223 | 0.74 | PKM (0.41) | CA1CA2NLRP3ALDH1A1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4006028-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR | Zhuhai Yufan Biotechnologies Co., Ltd (CN) | 2022-06-01 | — | — | EP | disclosed |