Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.49 |
| ▸ | ESR1 | P03372 | 12/20 | 0.45 |
| ▸ | PGR | P06401 | 2/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29881780 | 1.00 | NR1H4 (0.49) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL28819542 | 0.91 | NR1H4 (0.43) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL29880554 | 0.89 | NR1H4 (0.50) | NR1H4ESR1ABCB1ABCG2CYP2C8 | |
| SCHEMBL687916 | 0.89 | NR1H4 (0.50) | NR1H4ESR1ABCB1ABCG2CYP2C8 | |
| SCHEMBL4311157 | 0.87 | NR1H4 (0.49) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL4302795 | 0.87 | ABCG2 (0.43) | NR1H4ESR1PGRABCB1ABCG2 | |
| SCHEMBL274452 | 0.85 | NR1H4 (0.44) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL274940 | 0.85 | NR1H4 (0.58) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL274453 | 0.85 | NR1H4 (0.43) | NR1H4ESR1PGRNR3C1NR3C2 | |
| SCHEMBL4307628 | 0.83 | HSD17B10 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1692136-A2 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005056554-A2 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2005-06-23 | — | — | WO | disclosed |
| EP-1532153-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2003099821-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |