Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 3/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.44 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 2/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3642418 | 0.87 | PDK4 (0.55) | PDK4MAPK1GRM5GRM1WDR5 | |
| SCHEMBL30025347 | 0.87 | GRM5 (0.46) | PDK4MAPK1GRM5GRM1DGAT2 | |
| SCHEMBL27201656 | 0.85 | PDK4 (0.47) | PDK4MAPK1GRM5GRM1DGAT2 | |
| SCHEMBL15595098 | 0.84 | PDK4 (0.47) | PDK4MAPK1GRM5GRM1DGAT2 | |
| SCHEMBL19459082 | 0.83 | USP30 (0.49) | PDK4MAPK1DGAT2WDR5GPR119 | |
| SCHEMBL22944326 | 0.83 | PDK4 (0.48) | PDK4MAPK1DGAT2GPR119ESR2 | |
| SCHEMBL6352947 | 0.82 | MAPK1 (0.49) | PDK4MAPK1GRM5GRM1GPR119 | |
| SCHEMBL31358074 | 0.81 | DGAT2 (0.39) | PDK4MAPK1GRM5GRM1DGAT2 | |
| SCHEMBL3642397 | 0.80 | PDK4 (0.68) | PDK4GRM5GRM1NAMPT | |
| SCHEMBL27791722 | 0.80 | CCNT1 (0.39) | SMN1; SMN2CCNT1CDK9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120121540-A1 | Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections | GLAXOSMITHKLINE LLC | 2012-05-17 | — | — | US | disclosed |
| EP-2187883-A2 | NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS | GENELABS TECHNOLOGIES, INC. (US) | 2010-05-26 | — | — | EP | disclosed |
| US-20090176778-A1 | Certain nitrogen containing bicyclic chemical entities for treating viral infections | GLAXOSMITHKLINE LLC | 2009-07-09 | — | — | US | disclosed |
| WO-2009023179-A2 | NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS | GENELABS TECHNOLOGIES, INC. (US) | 2009-02-19 | — | — | WO | 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-20120121540-A1 | Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections | OAT, HAVCR2, CPS1 | PDK4 958/4885MAPK1 4071/4885GRM5 3710/4885 |
| US-20090176778-A1 | Certain nitrogen containing bicyclic chemical entities for treating viral infections | OAT, HAVCR2, CPS1 | PDK4 958/4885MAPK1 4071/4885GRM5 3710/4885 |
“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.