Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15918588 | 0.84 | MAPT (0.43) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL16011537 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MAPT | |
| SCHEMBL14720949 | 0.79 | CHRNB2 (0.45) | CHRNB2CHRNA4 | |
| SCHEMBL2305437 | 0.77 | SLC7A5 (0.40) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL12609890 | 0.76 | MAPT (0.45) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL23677159 | 0.76 | SCN9A (0.41) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL16462088 | 0.76 | MAPT (0.37) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL16711868 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL20910481 | 0.75 | SCN9A (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL15918740 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNA4KMT2A |
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-113164461-A | Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers | 拉夸里亚创药株式会社 | 2021-07-23 | — | — | CN | disclosed |