Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | AGER | Q15109 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31754870 | 0.81 | DUSP3 (0.41) | ALDH1A1KDM4EHSD17B10AURKBPTPN1 | |
| SCHEMBL6830612 | 0.78 | KCNA5 (0.48) | KDM4EMAPTL3MBTL1PTPN1HIF1A | |
| SCHEMBL496601 | 0.72 | HIF1A (0.65) | PTPN1HIF1A | |
| SCHEMBL70977 | 0.69 | HSD17B10 (0.48) | ALDH1A1KDM4ETSHRALOX15HSD17B10 | |
| SCHEMBL13701003 | 0.68 | AURKB (0.46) | ALDH1A1KDM4EMAPTL3MBTL1AURKB | |
| SCHEMBL4243185 | 0.68 | KDM4E (0.47) | ALDH1A1KDM4ETSHRALOX15CYP3A4 | |
| SCHEMBL29685650 | 0.67 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRALOX15HSD17B10 | |
| SCHEMBL516363 | 0.67 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRALOX15HSD17B10 | |
| SCHEMBL4243184 | 0.66 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRALOX15HSD17B10 | |
| SCHEMBL29404347 | 0.65 | HSD17B10 (0.78) | ALDH1A1KDM4ETSHRALOX15HSD17B10 |
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-111233852-A | NON type chiral bisoxazoline ligand and synthetic method and application thereof | 上海师范大学 | 2020-06-05 | — | — | CN | disclosed |