Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 5/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | 0.90 | ALDH1A1 (0.57) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL23192514 | 0.90 | ALDH1A1 (0.57) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL17481600 | 0.86 | ALDH1A1 (0.51) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL4865450 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL4865457 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL4999350 | 0.70 | ALDH1A1 (0.58) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL11887930 | 0.70 | ALDH1A1 (0.58) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL12585064 | 0.68 | MAPT (0.50) | ALDH1A1LMNAMAPTKMT2ARAB9A | |
| SCHEMBL4990942 | 0.66 | ALDH1A1 (0.52) | ALDH1A1LMNAKDRMAPTKMT2A | |
| SCHEMBL3575951 | 0.66 | ALDH1A1 (0.52) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 |
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 3870/4885KDR 1390/4885 |
“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.