Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 19/20 | 0.85 |
| ▸ | PDE6C | P51160 | 3/20 | 0.85 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.68 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.68 |
| ▸ | PDE1A | P54750 | 2/20 | 0.68 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.68 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.68 |
| ▸ | PDE2A | O00408 | 1/20 | 0.68 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.68 |
| ▸ | PDE6D | O43924 | 1/20 | 0.68 |
| ▸ | PDE8A | O60658 | 1/20 | 0.68 |
| ▸ | PDE9A | O76083 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | HTR1A | P08908 | 1/20 | 0.68 |
| ▸ | PDE6A | P16499 | 1/20 | 0.68 |
| ▸ | PDE6G | P18545 | 1/20 | 0.68 |
| ▸ | PDE4A | P27815 | 1/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL30199753 | 1.00 | PDE5A (0.85) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL29357402 | 0.95 | PDE5A (0.85) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL2693448 | 0.95 | PDE5A (0.85) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL7959160 | 0.94 | PDE5A (0.77) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL28482244 | 0.94 | PDE5A (0.83) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL7964961 | 0.94 | PDE5A (0.85) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL28417929 | 0.93 | PDE5A (0.82) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL7920627 | 0.93 | PDE5A (0.82) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL7965731 | 0.93 | PDE5A (0.84) | PDE5APDE6CPDE3BPDE3APDE1A | |
| SCHEMBL147337 | 0.92 | PDE5A (1.00) | PDE5APDE6CPDE3BPDE3APDE1A |
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 3 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 |
| US-20230041334-A1 | METHODS AND COMPOSITIONS FOR SMOKING CESSATION | BEHAVIORAL DIAGNOSTICS, LLC (US) | 2023-02-09 | — | — | US | disclosed |
| CN-111732593-A | Piperazine oxide derivative and composition, preparation method and application thereof | 黄泳华 | 2020-10-02 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230041334-A1 | METHODS AND COMPOSITIONS FOR SMOKING CESSATION | PDE5A, PDE3A, PDE2A | PDE5A 1/4885PDE6C 15/4885PDE3B 4/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.