Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 18/20 | 0.62 |
| ▸ | PDE4A | P27815 | 10/20 | 0.62 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | VEGFA | P15692 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | TNF | P01375 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PDE1A | P54750 | 1/20 | 0.54 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29504585 | 0.84 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL1572501 | 0.84 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL9167416 | 0.84 | PDE4B (0.78) | PDE4BPDE4APDE4CPDE4DCYP3A4 | |
| SCHEMBL6745558 | 0.83 | PDE4B (0.62) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL9062953 | 0.82 | PDE4B (0.76) | PDE4BPDE4APDE4CPDE4DCYP3A4 | |
| Lithium Ion SCHEMBL6745554 | 0.82 | PDE4B (0.58) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL5708642 | 0.82 | PDE4B (0.64) | PDE4BPDE4APDE4CPDE4DCYP3A4 | |
| SCHEMBL7094968 | 0.78 | PDE4B (0.87) | PDE4BPDE4APDE4CPDE4DCYP3A4 | |
| SCHEMBL7438600 | 0.78 | PDE4B (0.69) | PDE4BPDE4APDE4CPDE4DCYP3A4 | |
| SCHEMBL9158097 | 0.78 | PDE4B (0.58) | PDE4BPDE4APDE4CPDE4DCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050137416-A1 | Process and intermediates for preparing a cyclohexylnitrile | SMITHKLINE BEECHAM CORPORATION | 2005-06-23 | — | — | US | disclosed |
| US-20030050497-A1 | Process and intermediates for preparing a cyclohexylnitrile | SMITHKLINE BEECHAM CORPORATION | 2003-03-13 | — | — | US | 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 (2 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-20050137416-A1 | Process and intermediates for preparing a cyclohexylnitrile | HPD, PCCA, MCCC2 | PDE4B 2828/4885PDE4A 2567/4885PDE4C 2808/4885 |
| US-20030050497-A1 | Process and intermediates for preparing a cyclohexylnitrile | HPD, PCCA, MCCC2 | PDE4B 2785/4885PDE4A 2549/4885PDE4C 2781/4885 |
“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.