Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 3/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 3/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25857052 | 0.80 | ALDH1A1 (0.46) | ESR1ESR2TRPA1 | |
| SCHEMBL24855423 | 0.74 | KDM4E (0.43) | KDM4E | |
| SCHEMBL27352762 | 0.74 | KDM4E (0.43) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25854476 | 0.74 | KDM4E (0.43) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25861170 | 0.74 | KDM4E (0.40) | KDM4EESR1ESR2 | |
| SCHEMBL25856433 | 0.72 | KDM4E (0.41) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL27355770 | 0.72 | KDM4E (0.41) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25861298 | 0.72 | KDM4E (0.41) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25861928 | 0.71 | TRPA1 (0.36) | KDM4EESR1ESR2TRPA1KMT2A | |
| SCHEMBL29502822 | 0.70 | TRPA1 (0.52) | KDM4EESR1ESR2TRPA1KMT2A |
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-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |