Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL11863120 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 | |
| SCHEMBL695934 | 0.79 | PDCD1 (0.57) | CYP3A4CYP2D6PDCD1CD274TAAR1 | |
| SCHEMBL2873266 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 | |
| SCHEMBL49914 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 | |
| SCHEMBL20225729 | 0.79 | PDCD1 (0.57) | CYP3A4CYP2D6PDCD1CD274TAAR1 | |
| SCHEMBL29907219 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 | |
| Propane SCHEMBL7421324 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 | |
| SCHEMBL12490416 | 0.77 | RARB (0.38) | PDCD1CD274 | |
| SCHEMBL3550976 | 0.77 | RARB (0.47) | PDCD1CD274 | |
| Methoxymethane SCHEMBL28541105 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP2D6TAAR1SLC6A2SLC6A4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100439357-C | Benzo [b][1,4] dioxepine derivatives | HOFFMANN LA ROCHE (CH) | 2008-12-03 | — | — | CN | disclosed |
| US-7459480-B2 | Benzodioxepine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459480-B2 | Benzodioxepine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459480-B2 | Benzodioxepine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-12-02 | — | — | US | disclosed |
| EP-1682528-B1 | BENZO [b][1,4] DIOXEPINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-09-12 | — | — | EP | disclosed |
| EP-1682528-B1 | BENZO [b][1,4] DIOXEPINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-09-12 | — | — | EP | disclosed |
| CN-1875015-A | Benzo [b][1,4] dioxepine derivatives | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |
| EP-1682528-A1 | BENZO [b][1,4] DIOXEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-26 | — | — | EP | disclosed |
| US-20050113374-A1 | Benzodioxepine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-26 | — | — | US | disclosed |
| WO-2005044814-A1 | BENZO [b][1,4] DIOXEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-19 | — | — | 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 (1 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-20050113374-A1 | Benzodioxepine derivatives | BBOX1, ACOX1, ACOX3 | ACACB 5/4885CYP3A4 84/4885CYP2D6 163/4885 |
“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.