Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | MMP14 | P50281 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25856341 | 0.85 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1IDO1PSMB5KDM4E | |
| SCHEMBL25858206 | 0.84 | KDM4E (0.34) | IDO1KDM4ECOMTSLC6A2HTT | |
| SCHEMBL25856433 | 0.84 | KDM4E (0.41) | KDM4ECYP1A2MEN1KMT2ACYP1A1 | |
| SCHEMBL27355944 | 0.78 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1IDO1PSMB5KDM4E | |
| SCHEMBL24855472 | 0.76 | KDM4E (0.42) | HSP90AA1HSP90AB1IDO1PSMB5KDM4E | |
| SCHEMBL25858838 | 0.72 | ALDH1A1 (0.45) | CYP1A2ALDH1A1LMNATP53CYP1A1 | |
| SCHEMBL25861298 | 0.71 | KDM4E (0.41) | KDM4E | |
| SCHEMBL30488502 | 0.71 | KDM4E (0.38) | HSP90AA1HSP90AB1IDO1PSMB5KDM4E | |
| SCHEMBL25299180 | 0.71 | KDM4E (0.38) | HSP90AA1HSP90AB1IDO1PSMB5KDM4E | |
| SCHEMBL25858493 | 0.71 | BACE1 (0.33) | — |
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 |