Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 12/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 12/20 | 0.52 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2720744 | 0.85 | HAVCR2 (0.50) | HAVCR2NR1H2NR1H3ALDH1A1NPSR1 | |
| SCHEMBL2719758 | 0.82 | CCNB2 (0.43) | HAVCR2NR1H2NR1H3CCNB2CDK1 | |
| SCHEMBL2717720 | 0.81 | HAVCR2 (0.57) | HAVCR2NR1H2NR1H3CDK5SMN1; SMN2 | |
| SCHEMBL2729630 | 0.78 | HAVCR2 (0.46) | HAVCR2NR1H2NR1H3CDK5 | |
| SCHEMBL29611938 | 0.78 | SMN1; SMN2 (0.66) | NR1H2NR1H3CCNB2CDK1CCNB1 | |
| SCHEMBL2720220 | 0.78 | SMN1; SMN2 (0.66) | NR1H2NR1H3CCNB2CDK1CCNB1 | |
| SCHEMBL28623357 | 0.77 | HAVCR2 (0.51) | HAVCR2SMN1; SMN2MAPT | |
| SCHEMBL1124612 | 0.76 | NR1H2 (0.62) | HAVCR2NR1H2NR1H3ALDH1A1HTT | |
| SCHEMBL327460 | 0.75 | NR1H2 (0.44) | HAVCR2NR1H2NR1H3DHODHPPARG | |
| SCHEMBL1125783 | 0.75 | NR1H2 (0.75) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809605-B1 | QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | claimed |