Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | WNT1 | P04628 | 1/20 | 0.51 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | ROS1 | P08922 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3792256 | 0.89 | P2RY12 (0.46) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA | |
| SCHEMBL13187832 | 0.78 | HDAC6 (0.54) | CYP3A4CYP2D6DYRK1ALMNAMEN1 | |
| SCHEMBL13187725 | 0.78 | CYP3A4 (0.58) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA | |
| SCHEMBL3714572 | 0.78 | P2RY12 (0.46) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA | |
| SCHEMBL14082516 | 0.77 | CD274 (0.77) | DYRK1AWNT1CD274SMN1; SMN2HPGD | |
| SCHEMBL13188787 | 0.75 | SMN1; SMN2 (0.43) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA | |
| SCHEMBL3243091 | 0.75 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA | |
| SCHEMBL15581731 | 0.75 | TLR9 (0.63) | CYP1A2CYP3A4CYP2D6LMNAMEN1 | |
| SCHEMBL12923325 | 0.74 | P2RY12 (0.47) | CYP1A2CYP3A4CYP2D6LMNAMEN1 | |
| SCHEMBL13187836 | 0.74 | WNT1 (0.42) | CYP1A2CYP3A4CYP2D6DYRK1ALMNA |
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 |