Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL43130 | 0.91 | — | — | |
| Ethylene SCHEMBL2495312 | 0.85 | — | — | |
| Formaldehyde SCHEMBL5133811 | 0.85 | — | — | |
| Butane SCHEMBL11012887 | 0.78 | FAAH (0.39) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11539880 | 0.76 | NPSR1 (0.46) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL31162570 | 0.72 | NPSR1 (0.42) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11041849 | 0.69 | — | — | |
| Serine SCHEMBL442652 | 0.68 | SLC1A1 (0.41) | CYP1A2KMT2A | |
| SCHEMBL28904420 | 0.65 | — | — | |
| SCHEMBL43175 | 0.63 | — | — |
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-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | disclosed |