Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 13/20 | 0.53 |
| ▸ | PFKFB1 | P16118 | 12/20 | 0.53 |
| ▸ | PFKFB2 | O60825 | 10/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.49 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ULK1 | O75385 | 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 | |
|---|---|---|---|---|
| SCHEMBL23373339 | 0.94 | AAK1 (0.57) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| SCHEMBL23373326 | 0.92 | PFKFB3 (0.58) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| SCHEMBL29129910 | 0.88 | SCN3A (0.55) | SCN3ASCN9AAAK1PSMB8ULK1 | |
| SCHEMBL23373313 | 0.87 | PFKFB3 (0.53) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| SCHEMBL31148165 | 0.87 | PFKFB3 (0.53) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| SCHEMBL23373378 | 0.87 | PFKFB3 (0.61) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| Hydrochloric Acid SCHEMBL31148182 | 0.86 | PFKFB3 (0.52) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| Hydrochloric Acid SCHEMBL31148145 | 0.86 | PFKFB3 (0.52) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| Hydrochloric Acid SCHEMBL31148193 | 0.86 | PFKFB3 (0.52) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A | |
| SCHEMBL23373331 | 0.86 | PFKFB3 (0.56) | PFKFB3PFKFB1PFKFB2SCN3ASCN9A |
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 |