Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL540536 | 0.97 | NAMPT (0.50) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL15354526 | 0.86 | NAMPT (0.50) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL10087556 | 0.84 | NAMPT (0.49) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL164105 | 0.84 | HDAC1 (0.52) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL21394710 | 0.84 | NAMPT (0.49) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL29523504 | 0.84 | HDAC1 (0.52) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL9980800 | 0.84 | NAMPT (0.49) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL540467 | 0.84 | NAMPT (0.49) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL13456709 | 0.83 | NAMPT (0.53) | NAMPTHDAC1GRIN2BCYP17A1GSK3B | |
| SCHEMBL27947682 | 0.83 | NAMPT (0.48) | NAMPTHDAC1GRIN2BCYP17A1GSK3B |
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-2282995-A1 | DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS | Novartis AG (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141386-A1 | DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-11-26 | — | — | WO | disclosed |