Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5046832 | 0.85 | NPC1 (0.49) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL5048058 | 0.85 | NPC1 (0.49) | NPC1RAB9AHPGDMAOBMAOA | |
| SCHEMBL27721180 | 0.84 | MAOB (0.51) | NPC1RAB9AHPGDKMT2AMAOB | |
| SCHEMBL5046575 | 0.82 | NPC1 (0.46) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL5567525 | 0.80 | NPC1 (0.53) | NPC1RAB9A | |
| SCHEMBL5046616 | 0.77 | MAOB (0.45) | NPC1RAB9AMAOBMAOAALDH1A1 | |
| SCHEMBL5046757 | 0.76 | MAPT (0.53) | PDE5ANPC1RAB9AMEN1KMT2A | |
| SCHEMBL5046835 | 0.74 | ACACB (0.51) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL25568056 | 0.71 | NPC1 (0.83) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL5046573 | 0.70 | ACACB (0.45) | PDE5ANPC1RAB9ACYP3A4ALDH1A1 |
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 3 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 |
| US-20050113374-A1 | Benzodioxepine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-26 | — | — | US | 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 | PDE5A 290/4885NPC1 2203/4885RAB9A 3010/4885 |
“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.