Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.79 |
| ▸ | IGF1R | P08069 | 9/20 | 0.74 |
| ▸ | CCNK | O75909 | 1/20 | 0.72 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.72 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.72 |
| ▸ | AKT1 | P31749 | 1/20 | 0.70 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.70 |
| ▸ | GSK3A | P49840 | 1/20 | 0.70 |
| ▸ | GSK3B | P49841 | 1/20 | 0.70 |
| ▸ | STK4 | Q13043 | 1/20 | 0.70 |
| ▸ | STK3 | Q13188 | 1/20 | 0.70 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.70 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.70 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.70 |
| ▸ | PAK4 | O96013 | 2/20 | 0.64 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.64 |
| ▸ | SRC | P12931 | 1/20 | 0.62 |
| ▸ | ULK1 | O75385 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL16247056 | 0.95 | NEK1 (0.72) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL1164323 | 0.86 | NEK1 (0.71) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL15986891 | 0.84 | CCNK (1.00) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL12784694 | 0.84 | NEK1 (0.71) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL1164728 | 0.83 | AKT1 (1.00) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL17525315 | 0.82 | NEK1 (0.66) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL17525325 | 0.82 | NEK1 (0.82) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL26273491 | 0.82 | NEK1 (0.72) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL1164159 | 0.81 | NEK1 (0.68) | NEK1IGF1RCCNKCDK13CDK12 | |
| SCHEMBL2158052 | 0.81 | NEK1 (0.53) | NEK1IGF1RCCNKCDK13CDK12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963452-B2 | Methods, compounds, and compositions for inhibition of ROS | AUGUSTA PHARMACEUTICALS INC. (US) | 2018-05-08 | — | — | US | disclosed |
| WO-2016022839-A1 | MODULATORS OF IRE1 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-02-11 | — | — | WO | disclosed |
| US-20160031890-A1 | NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS | GRUENEBERG, Dorre A. | 2016-02-04 | — | — | US | disclosed |
| WO-2014141129-A9 | NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS | GRUENEBERG DORRE A (US) | 2014-11-06 | — | — | WO | disclosed |
| WO-2014141129-A2 | NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS | GRUENEBERG DORRE A (US) | 2014-09-18 | — | — | 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 (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-20160031890-A1 | NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS | ROS1, NOX4, NOX1 | NEK1 374/4885IGF1R 680/4885CCNK 515/4885 |
“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.