Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 13/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.48 |
| ▸ | KDR | P35968 | 4/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2053398 | 0.89 | AURKA (0.61) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL3425998 | 0.89 | AURKA (0.59) | AURKAAURKBKDREGFR | |
| SCHEMBL5039274 | 0.89 | AURKA (0.74) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL5043941 | 0.87 | AURKA (0.59) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL2048922 | 0.86 | AURKA (0.62) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL3489745 | 0.86 | AURKA (0.80) | AURKAAURKBKDREGFR | |
| Hydrochloric Acid SCHEMBL5048426 | 0.86 | AURKA (0.58) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL5491653 | 0.85 | AURKA (0.62) | AURKAAURKBKDREGFRERBB2 | |
| SCHEMBL6020449 | 0.85 | AURKA (0.62) | AURKAAURKBHDAC3KDRHDAC4 | |
| SCHEMBL2050510 | 0.85 | AURKA (0.67) | AURKAAURKBKDREGFR |
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-1578755-B1 | PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | ASTRAZENECA AB (SE) | 2007-08-22 | — | — | EP | disclosed |