Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL274983 | 0.88 | NR1H4 (0.54) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL273912 | 0.86 | NR1H4 (0.53) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL688528 | 0.81 | NR1H4 (0.76) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL4303367 | 0.79 | NR1H4 (0.64) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL4305536 | 0.74 | NR1H4 (0.78) | NR1H4ABCB1ABCG2LMNA | |
| SCHEMBL273500 | 0.72 | NR1H4 (0.73) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL29881430 | 0.72 | NR1H4 (0.73) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL4301951 | 0.72 | NR1H4 (0.66) | NR1H4ABCB1ABCG2 | |
| SCHEMBL688597 | 0.72 | NR1H4 (0.76) | NR1H4ABCB1ABCG2 | |
| SCHEMBL689187 | 0.72 | NR1H4 (0.77) | NR1H4ABCB1ABCG2ESR1NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8133992-B2 | Azepinoindole and pyridoindole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2012-03-13 | — | — | US | disclosed |
| EP-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | disclosed |