Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.58 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.58 |
| ▸ | ATP4A | P20648 | 8/20 | 0.44 |
| ▸ | ATP4B | P51164 | 8/20 | 0.44 |
| ▸ | HMOX1 | P09601 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5041174 | 1.00 | ERBB2 (0.58) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL31217458 | 0.88 | ERBB2 (0.74) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5045287 | 0.86 | ERBB2 (0.79) | ERBB2MINK1ATP4AATP4B | |
| SCHEMBL5045316 | 0.86 | ERBB2 (0.79) | ERBB2MINK1ATP4AATP4B | |
| SCHEMBL5760882 | 0.85 | ERBB2 (0.57) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5760885 | 0.85 | ERBB2 (0.57) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5648283 | 0.85 | ERBB2 (0.58) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5758829 | 0.84 | ERBB2 (0.57) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5761155 | 0.84 | ERBB2 (0.57) | ERBB2MINK1ATP4AATP4BHMOX1 | |
| SCHEMBL5758825 | 0.84 | ERBB2 (0.57) | ERBB2MINK1ATP4AATP4BHMOX1 |
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-7405231-B2 | Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole | HOFFMANN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | claimed |
| US-20050203064-A1 | Novel oxidized thioether derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-15 | — | — | US | claimed |
| US-7405231-B2 | Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole | HOFFMANN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-20050203064-A1 | Novel oxidized thioether derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-15 | — | — | 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-20050203064-A1 | Novel oxidized thioether derivatives | SULT1E1, CYP4F3, GPX4 | ERBB2 619/4885MINK1 3312/4885ATP4A 1518/4885 |
“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.