Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.57 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.54 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.54 |
| ▸ | PFKFB3 | Q16875 | 11/20 | 0.53 |
| ▸ | PFKFB1 | P16118 | 10/20 | 0.53 |
| ▸ | PFKFB2 | O60825 | 9/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 2/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23373335 | 0.94 | PFKFB3 (0.53) | AAK1SCN3ASCN9APFKFB3PFKFB1 | |
| SCHEMBL23373326 | 0.89 | PFKFB3 (0.58) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| SCHEMBL23373341 | 0.88 | PFKFB3 (0.58) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| SCHEMBL29129910 | 0.85 | SCN3A (0.55) | AAK1SCN3ASCN9ASCN5ADHODH | |
| SCHEMBL13388756 | 0.84 | SCN3A (0.64) | AAK1SCN3ASCN9ASCN5ADHODH | |
| SCHEMBL31148165 | 0.84 | PFKFB3 (0.53) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| SCHEMBL23373313 | 0.84 | PFKFB3 (0.53) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| SCHEMBL23373378 | 0.84 | PFKFB3 (0.61) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| Hydrochloric Acid SCHEMBL31148182 | 0.83 | PFKFB3 (0.52) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 | |
| Hydrochloric Acid SCHEMBL31148145 | 0.83 | PFKFB3 (0.52) | SCN3ASCN9APFKFB3PFKFB1PFKFB2 |
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-2021092893-A1 | USE OF DIARYL ETHER COMPOUND IN PREPARATION OF ANTI-TUMOR DRUG | 北京大学深圳研究生院 | 2021-05-20 | — | — | WO | disclosed |