Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 3/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 3/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | HNF4A | P41235 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25861298 | 0.86 | KDM4E (0.41) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25858194 | 0.84 | HSP90AA1 (0.37) | KDM4ECYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL25854476 | 0.83 | KDM4E (0.43) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25858838 | 0.82 | ALDH1A1 (0.45) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL25859255 | 0.78 | CYP1A1 (0.33) | KDM4ECYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL25858493 | 0.75 | BACE1 (0.33) | — | |
| SCHEMBL27352762 | 0.75 | KDM4E (0.43) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25859518 | 0.75 | NLRP3 (0.37) | — | |
| SCHEMBL27355770 | 0.73 | KDM4E (0.41) | KDM4EESR1ESR2NR1I2SMARCA2 | |
| SCHEMBL25304800 | 0.73 | NLRP3 (0.56) | KDM4ECYP1A1CYP1A2CYP1B1KMT2A |
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 |