Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TST | Q16762 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28117639 | 0.80 | ESR1 (0.48) | ESR1SLC6A2ESR2CA2TAAR1 | |
| SCHEMBL5046188 | 0.80 | CALM1 (0.49) | ALDH1A1IGF1RALOX15CALM1TAAR1 | |
| SCHEMBL28396262 | 0.79 | L3MBTL1 (0.34) | L3MBTL1 | |
| SCHEMBL27892139 | 0.79 | HTR2A (0.42) | — | |
| SCHEMBL5186775 | 0.79 | ESR1 (0.45) | ESR1IGF1RALOX15ESR2 | |
| SCHEMBL6980723 | 0.78 | DRD2 (0.45) | CHRM2CHRM1CHRM3CALM1MGLL | |
| SCHEMBL28749335 | 0.77 | LTA4H (0.56) | MGLL | |
| SCHEMBL29869051 | 0.77 | HTR2A (0.41) | — | |
| SCHEMBL28221103 | 0.77 | HTR2A (0.41) | — | |
| SCHEMBL9082275 | 0.76 | CYP4F2 (0.32) | — |
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 13 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 |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1794155-A1 | OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2007-06-13 | — | — | EP | disclosed |
| EP-1725549-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | 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 |
| US-20060069095-A1 | Azole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-30 | — | — | US | disclosed |
| WO-2006032520-A1 | OXAZOLE DERIVATIVES AS HER TYROSINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-30 | — | — | WO | disclosed |
| WO-2005095388-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | 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 |
| US-20050197370-A1 | Novel pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. | 2005-09-08 | — | — | US | disclosed |
| EP-1268473-A1 | OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077107-A1 | OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-18 | — | — | 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 (3 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-20050197370-A1 | Novel pentafluorosulfanyl compounds | SF3B5, SF3B1, SF3B3 | ESR1 2689/4885ADRA2A 2051/4885SLC6A2 3510/4885 |
| US-20050203064-A1 | Novel oxidized thioether derivatives | SULT1E1, CYP4F3, GPX4 | ESR1 520/4885ADRA2A 2227/4885SLC6A2 2636/4885 |
| US-20060069095-A1 | Azole derivatives | CYP3A5, CYP3A43, CYP11B1 | ESR1 1276/4885ADRA2A 1661/4885SLC6A2 1911/4885 |
“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.