Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29014983 | 0.79 | KCNH2 (0.62) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL30450155 | 0.79 | KCNH2 (0.62) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL8843535 | 0.75 | PDE4A (0.63) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL28096009 | 0.74 | PDE4A (0.51) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL28117775 | 0.74 | ABCB1 (0.53) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL21951890 | 0.74 | MEN1 (0.60) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL28117789 | 0.74 | ABCB1 (0.50) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL8844461 | 0.73 | HSD17B10 (0.48) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL28117667 | 0.73 | HSD17B10 (0.46) | ALDH1A1TSHRKDM4EHSD17B10LMNA | |
| SCHEMBL12636086 | 0.73 | CTSV (0.57) | ALDH1A1KDM4ELMNAABCB1MAPT |
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-106279058-B | The preparation and purposes of 3,4- diaryl -1,2,5- oxadiazoles oxide | 沈阳药科大学 | 2019-07-26 | — | — | CN | disclosed |