Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 9/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 9/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CD38 | P28907 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1125190 | 0.87 | NR1H2 (0.57) | NR1H2NR1H3PARP1USP2TP53 | |
| SCHEMBL11618867 | 0.86 | NR1H2 (0.53) | NR1H2NR1H3PARP1USP2TP53 | |
| Hydrochloric Acid SCHEMBL11618873 | 0.86 | NR1H2 (0.56) | NR1H2NR1H3PARP1USP2TP53 | |
| SCHEMBL1124374 | 0.82 | NR1H2 (0.73) | NR1H2NR1H3MAPT | |
| SCHEMBL8133288 | 0.81 | NR1H2 (0.47) | NR1H2NR1H3L3MBTL1AURKARPS6KB1 | |
| SCHEMBL1125003 | 0.80 | TP53 (0.64) | NR1H2NR1H3USP2TP53MAPK1 | |
| SCHEMBL1125331 | 0.80 | NR1H2 (0.64) | NR1H2NR1H3 | |
| SCHEMBL28311761 | 0.78 | KDM4E (0.45) | L3MBTL1AURKARPS6KB1PARP1CD38 | |
| SCHEMBL1124977 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3 | |
| SCHEMBL11861918 | 0.76 | NPC1 (0.55) | NR1H2NR1H3L3MBTL1AURKAUSP2 |
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-0012639-B1 | QUINOLEIN-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1983-09-07 | — | — | EP | disclosed |