Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096749 | 0.80 | TSHR (0.53) | TSHRCYP3A4TP53ALDH1A1AHR | |
| SCHEMBL9403849 | 0.75 | TSHR (0.47) | TSHRCYP3A4TP53ALDH1A1AHR | |
| SCHEMBL7930028 | 0.73 | TSHR (0.44) | TSHRCYP3A4TP53ALDH1A1MAPK1 | |
| 1,3,5-Trichlorobenzene SCHEMBL429512 | 0.73 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL23244766 | 0.72 | TSHR (0.61) | TSHRCYP3A4TP53ALDH1A1AHR | |
| SCHEMBL4463685 | 0.71 | CYP19A1 (0.46) | TSHRCYP3A4ALDH1A1MAPK1TDP1 | |
| SCHEMBL321756 | 0.71 | AHR (0.52) | TSHRCYP3A4TP53ALDH1A1AHR | |
| SCHEMBL803437 | 0.71 | TSHR (0.50) | TSHRCYP3A4TP53ALDH1A1HSD17B10 | |
| SCHEMBL673309 | 0.71 | TSHR (0.50) | TSHRCYP3A4TP53ALDH1A1AHR | |
| SCHEMBL11611118 | 0.69 | TSHR (0.39) | TSHRCYP3A4TP53ALDH1A1AHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576088-B2 | Benzodioxole derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-08-18 | — | — | US | disclosed |
| EP-1532132-B1 | NOVEL BENZODIOXOLES | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |
| US-20050143373-A1 | Benzodioxole derivatives | ALANINE ALEXANDER (FR) | 2005-06-30 | — | — | US | disclosed |
| US-6900227-B2 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-31 | — | — | US | disclosed |
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| US-20040142922-A1 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. | 2004-07-22 | — | — | US | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | 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-20050143373-A1 | Benzodioxole derivatives | CNR2, CNR1, GPR119 | TSHR 1029/4885CYP3A4 313/4885TP53 4831/4885 |
| US-20040142922-A1 | Benzodioxole derivatives | CNR1, CNR2, GPR119 | TSHR 1171/4885CYP3A4 273/4885TP53 4855/4885 |
“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.