Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | COMT | P21964 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | CASP6 | P55212 | 2/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108755 | 0.90 | KMT2A (0.47) | KMT2AMEN1MAPTHTTKDM4E | |
| SCHEMBL30108769 | 0.86 | NSD2 (0.43) | KMT2AMEN1MAPTHTTKDM4E | |
| SCHEMBL30108834 | 0.85 | G6PD (0.44) | KMT2AMEN1MAPTHTTKDM4E | |
| SCHEMBL25253888 | 0.83 | ALDH1A1 (0.44) | MAPTHTTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL25858132 | 0.83 | ATM (0.37) | KMT2AMEN1MAPTHTTKDM4E | |
| SCHEMBL30108849 | 0.80 | G6PD (0.44) | KMT2AMEN1MAPTHTTKDM4E | |
| SCHEMBL30108637 | 0.76 | MAOA (0.37) | KDM4ESMN1; SMN2 | |
| SCHEMBL26134941 | 0.76 | MAOA (0.37) | KDM4ESMN1; SMN2 | |
| SCHEMBL30108652 | 0.75 | NLRP3 (0.40) | KMT2AMEN1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28934716 | 0.74 | ACHE (0.37) | KMT2AMEN1MAPTMAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |