Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17481601 | 0.87 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL23192514 | 0.87 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL17481602 | 0.86 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL4865457 | 0.80 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTGAAMEN1 | |
| SCHEMBL4865450 | 0.80 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTGAAMEN1 | |
| SCHEMBL4985173 | 0.73 | MAPT (0.60) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL11887926 | 0.73 | MAPT (0.60) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL4985182 | 0.73 | MAPT (0.60) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL3572896 | 0.71 | EGFR (0.52) | ALDH1A1LMNAMAPTGAANPC1 | |
| SCHEMBL3572891 | 0.71 | EGFR (0.52) | ALDH1A1LMNAMAPTGAANPC1 |
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-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 |
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 | ALDH1A1 1362/4885LMNA 3870/4885MAPT 1936/4885 |
“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.