Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4012143 | 0.86 | ESR1 (0.40) | CD38CYP3A4ESR1GAAMAPT | |
| SCHEMBL4019153 | 0.83 | NR4A2 (0.50) | CD38CYP3A4GAAMAPTL3MBTL1 | |
| SCHEMBL4015511 | 0.82 | ENPP1 (0.40) | CD38CYP3A4KCNH2ESR1GAA | |
| SCHEMBL4014169 | 0.82 | PIK3CD (0.46) | CD38CYP3A4KCNH2ESR1GAA | |
| SCHEMBL4010284 | 0.81 | NR1H2 (0.53) | ESR1NR1H2NR1H3L3MBTL1 | |
| SCHEMBL4014835 | 0.78 | NR1H2 (0.39) | CD38CYP3A4KCNH2ESR1ACVR1 | |
| SCHEMBL4012475 | 0.76 | NR1H2 (0.58) | NR1H2NR1H3 | |
| SCHEMBL9494183 | 0.76 | CD38 (0.44) | CD38CYP3A4KCNH2ESR1GAA | |
| SCHEMBL2446200 | 0.74 | ESR1 (0.41) | ESR1NR1H2NR1H3HSD17B1HSD17B2 | |
| SCHEMBL4012268 | 0.74 | NR1H2 (0.58) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |