Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9576388 | 0.84 | TSHR (0.48) | KCNN4CES2CES1CHRM3TRPA1 | |
| SCHEMBL28091068 | 0.77 | MEN1 (0.41) | KCNN4CES2CES1CHRM3AKR1C3 | |
| SCHEMBL29827588 | 0.76 | PDE2A (0.50) | KCNN4CES2TRPA1TSHRMAPK1 | |
| SCHEMBL2147584 | 0.76 | PDE2A (0.50) | KCNN4CES2TRPA1TSHRMAPK1 | |
| Lithium SCHEMBL2459422 | 0.74 | PDE2A (0.48) | KCNN4CES2TRPA1TSHRMAPK1 | |
| SCHEMBL828570 | 0.74 | ALDH1A1 (0.46) | KCNN4CES2CES1CHRM3AKR1C3 | |
| SCHEMBL3950869 | 0.74 | ESR1 (0.44) | KCNN4CES2CES1CHRM3AKR1C3 | |
| SCHEMBL2459420 | 0.74 | PDE2A (0.48) | KCNN4CES2TRPA1TSHRMAPK1 | |
| SCHEMBL28202239 | 0.73 | KCNN4 (0.39) | KCNN4CES2CES1CHRM3AKR1C3 | |
| SCHEMBL23616059 | 0.72 | KCNN4 (0.40) | KCNN4CES2CES1CHRM3TRPA1 |
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-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 |
| WO-2002042246-A1 | METHOD FOR THE PREPARATION OF DICHLORODIARYLMETHANES | TESSENDERLO CHEMIE N.V. (BE) | 2002-05-30 | — | — | 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 | KCNN4 1843/4885CES2 197/4885CES1 229/4885 |
| US-20040142922-A1 | Benzodioxole derivatives | CNR1, CNR2, GPR119 | KCNN4 1690/4885CES2 214/4885CES1 47/4885 |
“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.