Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 14/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049104 | 1.00 | ERBB2 (0.41) | ERBB2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL6579995 | 0.84 | ERBB2 (0.55) | ERBB2CYP1A2KDM4ENPC1MAPT | |
| SCHEMBL6579991 | 0.84 | ERBB2 (0.55) | ERBB2CYP1A2KDM4ENPC1MAPT | |
| SCHEMBL4607765 | 0.82 | ERBB2 (0.46) | ERBB2 | |
| SCHEMBL4607770 | 0.82 | ERBB2 (0.46) | ERBB2 | |
| SCHEMBL4504715 | 0.82 | ERBB2 (0.44) | ERBB2 | |
| SCHEMBL4056632 | 0.82 | ERBB2 (0.56) | ERBB2CYP1A2KMT2A | |
| SCHEMBL4504713 | 0.82 | ERBB2 (0.44) | ERBB2 | |
| SCHEMBL4056631 | 0.82 | ERBB2 (0.56) | ERBB2CYP1A2KMT2A | |
| SCHEMBL6586055 | 0.81 | ERBB2 (0.42) | ERBB2NPC1RAB9ACASP3SENP7 |
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 | disclosed |
| EP-1725551-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095393-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | 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 619/4885CYP1A1 43/4885CYP1A2 67/4885 |
“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.