Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HCK | P08631 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16712814 | 1.00 | PDE5A (0.46) | PDE5AMAP4K4LIMK1L3MBTL1PI4KB | |
| SCHEMBL13058679 | 0.83 | CYP1A1 (0.39) | PDE5AEGFRSRCMAOA | |
| SCHEMBL6233405 | 0.77 | PDE5A (0.46) | PDE5AMAP4K4PI4KBKDRPIK3CD | |
| SCHEMBL1872205 | 0.76 | PDE5A (0.49) | PDE5AMAP4K4L3MBTL1PI4KBKDR | |
| SCHEMBL14326156 | 0.74 | PDPK1 (0.39) | PDE5AMAOA | |
| SCHEMBL12348218 | 0.73 | TDP1 (0.34) | PDE5AMAOA | |
| SCHEMBL12261633 | 0.73 | ALDH1A1 (0.39) | PDE5AEGFRMAOA | |
| SCHEMBL16712816 | 0.73 | MAOA (0.33) | PDE5AMAOA | |
| SCHEMBL29207868 | 0.73 | MAOA (0.33) | PDE5AMAOA | |
| SCHEMBL18312184 | 0.71 | PDE5A (0.41) | PDE5API4KBKDRPIK3CDABL1 |
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-2022094172-A2 | INHIBITORS OF BTK | NEWAVE PHARMACEUTICAL INC. (US) | 2022-05-05 | — | — | WO | disclosed |