Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | WNT1 | P04628 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188771 | 0.93 | PIK3CA (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL13188438 | 0.92 | PIM1 (0.43) | HDAC1HDAC6HIF1AEPAS1 | |
| SCHEMBL13188807 | 0.90 | HIF1A (0.42) | HDAC1HDAC6HIF1AEPAS1 | |
| SCHEMBL13188819 | 0.89 | P4HTM (0.43) | PIK3CAHDAC1HIF1AEPAS1DYRK1A | |
| SCHEMBL3716106 | 0.89 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL3710083 | 0.88 | KIT (0.42) | CYP3A4CYP2D6HDAC1KDM1AHIF1A | |
| SCHEMBL13188522 | 0.87 | HIF1A (0.56) | HDAC1HDAC6SMN1; SMN2HIF1AEPAS1 | |
| SCHEMBL13188362 | 0.87 | HDAC6 (0.44) | PIK3CAPIK3CBPIK3CGHDAC1HDAC6 | |
| SCHEMBL13188787 | 0.86 | SMN1; SMN2 (0.43) | CYP3A4CYP2D6HDAC1KDM1AHDAC6 | |
| SCHEMBL3711558 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |