Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8049735 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9636621 | 0.79 | HPGD (0.47) | ALDH1A1HPGDSMN1; SMN2ACACBKDM4E | |
| SCHEMBL6036758 | 0.79 | RARB (0.55) | ALDH1A1HPGDSMN1; SMN2ACACBCYP3A4 | |
| SCHEMBL13891405 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2ACACBEGLN1 | |
| SCHEMBL25093690 | 0.78 | NOS1 (0.44) | ALDH1A1SMN1; SMN2CYP3A4KMT2ATDP1 | |
| SCHEMBL28655847 | 0.77 | MMP2 (0.34) | ALDH1A1HPGDKDM4ECYP3A4MEN1 | |
| SCHEMBL22259668 | 0.76 | PTGDR2 (0.58) | ALDH1A1HPGDSMN1; SMN2ACACBEGLN1 | |
| SCHEMBL22259645 | 0.76 | APP (0.55) | ALDH1A1HPGDSMN1; SMN2ACACBEGLN1 | |
| SCHEMBL22259646 | 0.76 | NSD2 (0.51) | ALDH1A1HPGDSMN1; SMN2ACACBEGLN1 | |
| SCHEMBL1004649 | 0.76 | ALDH1A1 (0.73) | ALDH1A1HPGDSMN1; SMN2HDAC4MAOB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 | ALDH1A1 361/4885HPGD 260/4885SMN1; SMN2 3955/4885 |
“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.