Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 19/20 | 0.75 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.75 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.75 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.75 |
| ▸ | PDE1A | P54750 | 2/20 | 0.75 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.75 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.75 |
| ▸ | PDE2A | O00408 | 1/20 | 0.75 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.75 |
| ▸ | PDE6D | O43924 | 1/20 | 0.75 |
| ▸ | PDE8A | O60658 | 1/20 | 0.75 |
| ▸ | PDE9A | O76083 | 1/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | HTR1A | P08908 | 1/20 | 0.75 |
| ▸ | PDE6A | P16499 | 1/20 | 0.75 |
| ▸ | PDE6G | P18545 | 1/20 | 0.75 |
| ▸ | PDE4A | P27815 | 1/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL6716511 | 0.93 | PDE5A (0.84) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL15406587 | 0.90 | PDE5A (0.79) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL6716951 | 0.87 | PDE5A (0.75) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL6719179 | 0.87 | PDE5A (0.84) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL6715447 | 0.87 | PDE5A (0.74) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL6713720 | 0.86 | PDE5A (0.84) | PDE5APDE3BPDE3AABCC4PDE1A | |
| SCHEMBL6715353 | 0.85 | PDE5A (0.72) | PDE5APDE3BPDE3AABCC4PDE1A | |
| Sildenafil SCHEMBL5683880 | 0.85 | PDE5A (1.00) | PDE5APDE3BPDE3AABCC4PDE1A | |
| Sildenafil SCHEMBL1895 | 0.85 | PDE5A (1.00) | PDE5APDE3BPDE3AABCC4PDE1A | |
| Sildenafil SCHEMBL29361663 | 0.85 | PDE5A (1.00) | PDE5APDE3BPDE3AABCC4PDE1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111732593-A | Piperazine oxide derivative and composition, preparation method and application thereof | 黄泳华 | 2020-10-02 | — | — | CN | claimed |
| CN-111732593-A | Piperazine oxide derivative and composition, preparation method and application thereof | 黄泳华 | 2020-10-02 | — | — | CN | disclosed |