Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31555682 | 0.85 | NSD2 (0.46) | ACACBNSD2NSD3LTA4HALDH1A1 | |
| SCHEMBL15149654 | 0.85 | KDM4E (0.50) | GAATSHRNSD2NSD3LTA4H | |
| SCHEMBL22068937 | 0.83 | NSD2 (0.36) | NQO1CHEK1GAAACACBTSHR | |
| SCHEMBL21663741 | 0.83 | NSD2 (0.42) | CHEK1NSD2NSD3ALDH1A1KDM4E | |
| SCHEMBL1391688 | 0.82 | NQO1 (0.48) | NQO1ACACBTSHRTDP1LTA4H | |
| SCHEMBL22120385 | 0.82 | NSD2 (0.49) | CHEK1NSD2NSD3ALDH1A1KDM4E | |
| SCHEMBL1657380 | 0.81 | NSD2 (0.40) | NQO1CHEK1TSHRTDP1NSD2 | |
| SCHEMBL31555687 | 0.79 | NSD2 (0.45) | NQO1CHEK1NSD2NSD3ALDH1A1 | |
| SCHEMBL240556 | 0.79 | NQO1 (0.50) | NQO1GAAACACBTSHRTDP1 | |
| SCHEMBL9113527 | 0.78 | ACACB (0.44) | NQO1ACACBTSHRTDP1LTA4H |
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-115368350-A | PyrOX ligand containing electron-rich group at 5-position of pyridine | 兰州大学 | 2022-11-22 | — | — | CN | disclosed |