Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | S100A4 | P26447 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343916 | 0.91 | TLR9 (0.72) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL16828395 | 0.83 | NFE2L2 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL15497047 | 0.83 | TLR9 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL1195505 | 0.83 | TLR9 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL1195446 | 0.83 | NFE2L2 (0.53) | NFE2L2HDAC1HDAC8MAOB | |
| SCHEMBL15511636 | 0.83 | TLR9 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL1195448 | 0.83 | NFE2L2 (0.53) | NFE2L2HDAC1HDAC8MAOB | |
| SCHEMBL1195502 | 0.83 | TLR9 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL16828394 | 0.83 | NFE2L2 (0.60) | TLR9ALDH1A1MAPTTDP1TP53 | |
| SCHEMBL1194075 | 0.82 | TLR9 (0.53) | TLR9ALDH1A1KMT2AMEN1CYP1A2 |
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-108623503-B | Green preparation method of vinyl sulfone derivative in water phase | 宁波大学 | 2020-01-03 | — | — | CN | disclosed |