Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 11/20 | 0.76 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.76 |
| ▸ | NAAA | Q02083 | 7/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Benzyl Isothiocyanate SCHEMBL44145 | 0.87 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.87 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28130423 | 0.85 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL2143472 | 0.85 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL2141861 | 0.84 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL4776959 | 0.82 | MIF (0.68) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL15161145 | 0.82 | MIF (0.57) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28133299 | 0.81 | MIF (0.87) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL15303848 | 0.81 | MIF (0.54) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| SCHEMBL4600494 | 0.79 | ALDH1A1 (0.47) | MIFTRPA1ALDH1A1CYP3A4HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| WO-2008008954-A2 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-17 | — | — | WO | disclosed |
| WO-2008008954-A2 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-17 | — | — | 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 (2 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-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | GGCT, GSTK1, GCLC | MIF 1422/4885TRPA1 2140/4885ALDH1A1 1045/4885 |
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | GGCT, GSTK1, GSTA1 | MIF 906/4885TRPA1 2349/4885ALDH1A1 896/4885 |
“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.