Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 14/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL688597 | 0.90 | NR1H4 (0.76) | NR1H4ABCB1ABCG2MAPKAPK2 | |
| SCHEMBL689187 | 0.89 | NR1H4 (0.77) | NR1H4ABCB1ABCG2MAPKAPK2ESR1 | |
| SCHEMBL29880943 | 0.89 | NR1H4 (0.77) | NR1H4ABCB1ABCG2MAPKAPK2ESR1 | |
| SCHEMBL4305536 | 0.88 | NR1H4 (0.78) | NR1H4ABCB1ABCG2 | |
| SCHEMBL4303367 | 0.87 | NR1H4 (0.64) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL273743 | 0.86 | NR1H4 (1.00) | NR1H4MAPKAPK2ESR1NR3C1PGR | |
| SCHEMBL29881422 | 0.86 | NR1H4 (1.00) | NR1H4MAPKAPK2ESR1NR3C1PGR | |
| SCHEMBL6531590 | 0.83 | NR1H4 (0.69) | NR1H4ABCB1ABCG2MAPKAPK2ESR1 | |
| SCHEMBL274983 | 0.82 | NR1H4 (0.54) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL4301576 | 0.82 | NR1H4 (0.56) | NR1H4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | claimed |