Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.53 |
| ▸ | PDE4A | P27815 | 3/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117662 | 0.92 | ABCB1 (0.52) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28952863 | 0.89 | MGAM (0.47) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28117658 | 0.87 | ERN1 (0.49) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28117805 | 0.77 | CYP19A1 (0.43) | CYP19A1KDM4EALDH1A1 | |
| SCHEMBL28837694 | 0.77 | PDGFRB (0.49) | ABCB1KDM4EALDH1A1 | |
| SCHEMBL28118287 | 0.76 | FYN (0.49) | CYP19A1ALDH1A1 | |
| SCHEMBL28117780 | 0.76 | PDGFRB (0.48) | USP2ALDH1A1LMNA | |
| SCHEMBL28306752 | 0.74 | ALDH1A1 (0.48) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28117636 | 0.72 | KDR (0.42) | ABCB1CYP19A1ALDH1A1HSD17B10 | |
| SCHEMBL30450155 | 0.71 | KCNH2 (0.62) | ABCB1PDE4APDE4BPDE4CPDE4D |
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-A | The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes | 沈阳药科大学 | 2017-01-04 | — | — | CN | disclosed |