Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.68 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1964903 | 0.99 | NR1H4 (0.69) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL1964088 | 0.93 | NR1H4 (0.70) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4709352 | 0.92 | NR1H4 (0.79) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4713602 | 0.91 | NR1H4 (0.79) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL1242975 | 0.90 | NR1H4 (0.86) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL1241320 | 0.89 | NR1H4 (0.86) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4761436 | 0.87 | NR1H4 (0.69) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL1967029 | 0.86 | NR1H4 (0.69) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4760883 | 0.86 | NR1H4 (0.80) | NR1H4ESR1NR3C1PGRNR3C2 | |
| SCHEMBL4759887 | 0.85 | NR1H4 (0.68) | NR1H4ESR1NR3C1PGRNR3C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334681-A1 | 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS | Wyeth LLC (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010036362-A1 | 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS | WYETH (US) | 2010-04-01 | — | — | WO | disclosed |