Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.60 |
| ▸ | IGF1R | P08069 | 17/20 | 0.59 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.48 |
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16081590 | 0.77 | NEK1 (0.79) | ULK1IGF1RNEK1CCNKCDK13 | |
| SCHEMBL16247096 | 0.77 | IGF1R (0.73) | ULK1IGF1R | |
| SCHEMBL16247021 | 0.76 | IGF1R (0.71) | IGF1R | |
| SCHEMBL11917491 | 0.76 | ULK1 (0.50) | ULK1IGF1R | |
| SCHEMBL31471724 | 0.75 | ULK1 (1.00) | ULK1IGF1R | |
| SCHEMBL12439852 | 0.74 | IGF1R (0.77) | ULK1IGF1R | |
| SCHEMBL16247056 | 0.73 | NEK1 (0.72) | IGF1RNEK1CCNKCDK13CDK12 | |
| SCHEMBL22535332 | 0.72 | NTRK1 (0.51) | IGF1R | |
| SCHEMBL10294900 | 0.71 | ULK1 (0.50) | ULK1IGF1RNEK1 | |
| SCHEMBL22535613 | 0.71 | NTRK1 (0.56) | IGF1R |
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 6 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 |
| US-9963452-B2 | Methods, compounds, and compositions for inhibition of ROS | AUGUSTA PHARMACEUTICALS INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20160031890-A1 | NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS | GRUENEBERG, Dorre A. | 2016-02-04 | — | — | US | 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 | ULK1 442/4885IGF1R 680/4885NEK1 374/4885 |
“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.