Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL26437126 | 0.87 | NLRP3 (0.39) | NLRP3KDM4EALDH1A1KMT2ALMNA | |
| SCHEMBL26435304 | 0.84 | IL1B (0.42) | NLRP3KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL26437140 | 0.84 | NLRP3 (0.51) | NLRP3KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL26436523 | 0.84 | NLRP3 (0.48) | NLRP3KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL26437582 | 0.82 | NLRP3 (0.37) | NLRP3TNFIL1BIRAK1IRAK4 | |
| SCHEMBL26437136 | 0.81 | NLRP3 (0.48) | NLRP3KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL26435053 | 0.81 | NLRP3 (0.41) | NLRP3KDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL29275831 | 0.79 | NLRP3 (0.81) | NLRP3IL1BCHEK2 | |
| SCHEMBL29276147 | 0.79 | NLRP3 (0.81) | NLRP3IL1BCHEK2 | |
| SCHEMBL30214821 | 0.79 | NLRP3 (0.81) | NLRP3IL1BCHEK2 |
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 |