Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | ESR1 | P03372 | 1/20 | 0.67 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.67 |
| ▸ | AR | P10275 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL4531195 | 0.96 | NR1H4 (1.00) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL4526366 | 0.92 | NR1H4 (1.00) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL14495998 | 0.92 | NR1H4 (0.88) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL1244078 | 0.90 | NR1H4 (0.82) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL1243704 | 0.90 | NR1H4 (0.83) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL4530845 | 0.88 | NR1H4 (1.00) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4528205 | 0.88 | NR1H4 (1.00) | NR1H4KCNH2 | |
| SCHEMBL1243622 | 0.87 | NR1H4 (0.77) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL4526484 | 0.87 | NR1H4 (0.77) | NR1H4KCNH2ESR1NR3C1PGR | |
| SCHEMBL1242993 | 0.87 | NR1H4 (1.00) | NR1H4KCNH2 |
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-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | claimed |
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | 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-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | NR1H4, NR1I2, GPBAR1 | NR1H4 1/4885KCNH2 3726/4885ESR1 292/4885 |
“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.