Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | IL1B | P01584 | 3/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 6/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26436151 | 0.92 | NLRP3 (0.44) | NLRP3KCNH2IL1BTNFKAT2B | |
| SCHEMBL26435657 | 0.91 | NLRP3 (0.43) | NLRP3KCNH2IL1BTNFKAT2B | |
| SCHEMBL26435635 | 0.89 | NLRP3 (0.57) | NLRP3KCNH2IL1BTNF | |
| SCHEMBL26434878 | 0.87 | NLRP3 (0.48) | NLRP3KCNH2IL1BTNFHTR1A | |
| SCHEMBL26435356 | 0.86 | NLRP3 (0.52) | NLRP3KCNH2IL1BKAT2BJAK2 | |
| SCHEMBL26436166 | 0.84 | NLRP3 (0.43) | NLRP3KCNH2IL1BTNFKAT2B | |
| SCHEMBL26435325 | 0.83 | NLRP3 (0.37) | NLRP3KCNH2IL1BTNFKAT2B | |
| SCHEMBL26436028 | 0.80 | NLRP3 (0.52) | NLRP3KCNH2IL1BKAT2BJAK2 | |
| SCHEMBL26438896 | 0.80 | KCNH2 (0.52) | NLRP3KCNH2IL1BTNFKAT2B | |
| SCHEMBL26435326 | 0.80 | IL1B (0.46) | NLRP3IL1BTNFKAT2BSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023066377-A1 | NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 索智生物科技（浙江）有限公司 | 2023-04-27 | — | — | WO | disclosed |