Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4606288 | 0.83 | MAOA (0.33) | ALDH1A1HPGD | |
| SCHEMBL6027103 | 0.81 | CYP19A1 (0.47) | ATP4AATP4BHPGDCYP19A1 | |
| SCHEMBL4600205 | 0.77 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL4592008 | 0.77 | ALDH1A1 (0.38) | ALDH1A1POLBUSP2MAPTCACNA1B | |
| SCHEMBL4599530 | 0.76 | ALDH1A1 (0.38) | ALDH1A1POLBUSP2MAPTCACNA1B | |
| SCHEMBL5044837 | 0.74 | ALDH1A1 (0.41) | ALDH1A1POLBUSP2MAPTCACNA1B | |
| SCHEMBL4518195 | 0.74 | ALDH1A1 (0.38) | ALDH1A1POLBUSP2MAPTCACNA1B | |
| SCHEMBL27658568 | 0.72 | CA12 (0.46) | ALDH1A1POLBUSP2MAPTCACNA1B | |
| SCHEMBL4607023 | 0.69 | ESR1 (0.39) | CYP19A1 | |
| SCHEMBL27678886 | 0.69 | CA12 (0.34) | ALDH1A1POLBUSP2MAPTCACNA1B |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429605-B2 | Phenylpyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-09-30 | — | — | US | disclosed |
| 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-1761525-B1 | THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-07-23 | — | — | EP | disclosed |
| CN-101213186-A | Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2008-07-02 | — | — | CN | disclosed |
| EP-1912969-A1 | PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| US-7342030-B2 | Indole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-03-11 | — | — | US | disclosed |
| CN-101010319-A | Indole derivatives, their preparation and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2007-08-01 | — | — | CN | disclosed |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1797086-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. Hoffmann-Roche AG (CH) | 2007-06-20 | — | — | EP | disclosed |
| CN-1930153-A | Pentafluorosulfanyl compounds, their preparation and use as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2007-03-14 | — | — | CN | 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-2006032509-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-30 | — | — | WO | disclosed |
| US-20060063812-A1 | Indole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-23 | — | — | US | disclosed |
| US-7005526-B2 | Thioether derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-02-28 | — | — | US | disclosed |
| WO-2005116019-A1 | THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-08 | — | — | WO | disclosed |
| US-20050267179-A1 | NOVEL THIOETHER DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-01 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | ALDH1A1 171/4885POLB 2749/4885USP2 3389/4885 |
| US-20050267179-A1 | NOVEL THIOETHER DERIVATIVES | TPMT, TST, SULT1E1 | ALDH1A1 129/4885POLB 4538/4885USP2 4201/4885 |
| US-20050203064-A1 | Novel oxidized thioether derivatives | SULT1E1, CYP4F3, GPX4 | ALDH1A1 89/4885POLB 3098/4885USP2 3632/4885 |
| US-20060063812-A1 | Indole derivatives | IDO1, IDO2, TPH1 | ALDH1A1 123/4885POLB 3684/4885USP2 4314/4885 |
“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.