Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 11/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 10/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 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 | |
|---|---|---|---|---|
| SCHEMBL4012404 | 0.91 | ESR1 (0.44) | NR1H2NR1H3ESR1IKBKBAURKA | |
| SCHEMBL4011398 | 0.85 | NR1H2 (0.49) | NR1H2NR1H3ESR1IKBKB | |
| SCHEMBL4017875 | 0.82 | NR1H2 (0.59) | NR1H2NR1H3 | |
| SCHEMBL4018001 | 0.79 | KDM4E (0.51) | NR1H2NR1H3ESR1IKBKB | |
| SCHEMBL6024428 | 0.75 | ESR1 (0.51) | NR1H2NR1H3ESR1SCN9ACYP3A4 | |
| SCHEMBL27765222 | 0.75 | IKBKB (0.41) | IKBKB | |
| SCHEMBL4018681 | 0.74 | NR1H2 (0.59) | NR1H2NR1H3 | |
| SCHEMBL4011960 | 0.72 | ESR1 (0.41) | NR1H2NR1H3ESR1IKBKBAURKA | |
| SCHEMBL3855505 | 0.71 | NR1H2 (0.48) | NR1H2NR1H3ESR1SCN9ACYP3A4 | |
| SCHEMBL4011832 | 0.70 | NR1H2 (0.64) | NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101541751-A | Quinoline compounds | WYETH CORP (US) | 2009-09-23 | — | — | CN | disclosed |
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |