Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.72 |
| ▸ | IDH2 | P48735 | 3/20 | 0.68 |
| ▸ | KIF11 | P52732 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL31501743 | 1.00 | AURKA (0.72) | AURKAIDH2KIF11KDM4EHDAC3 | |
| Sulfuric Acid SCHEMBL7470918 | 0.91 | AURKA (0.62) | AURKAIDH2KIF11KDM4EHDAC3 | |
| SCHEMBL3601052 | 0.83 | HDAC3 (0.67) | AURKAIDH2KIF11KDM4EHDAC3 | |
| SCHEMBL30313912 | 0.83 | HDAC3 (0.67) | AURKAIDH2KIF11KDM4EHDAC3 | |
| SCHEMBL14378926 | 0.83 | IDH2 (0.63) | AURKAIDH2KIF11KDM4EHDAC3 | |
| SCHEMBL30847372 | 0.83 | AURKA (0.72) | AURKAIDH2KIF11KDM4ELMNA | |
| SCHEMBL27110454 | 0.83 | AURKA (0.72) | AURKAIDH2KIF11KDM4ELMNA | |
| SCHEMBL2113984 | 0.83 | AURKA (0.77) | AURKAIDH2KDM4EAPP | |
| SCHEMBL14088796 | 0.83 | AURKA (0.72) | AURKAIDH2KIF11KDM4ELMNA | |
| SCHEMBL394991 | 0.82 | KIF11 (0.70) | AURKAIDH2KIF11KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1463730-A1 | PYRAZOLOPARIDAZINE DERIVATIVES | SmithKline Beecham Corporation (US) | 2004-10-06 | — | — | EP | claimed |
| WO-2003051886-A1 | PYRAZOLOPYRIDAZINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-06-26 | — | — | WO | claimed |
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | disclosed |