Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.42 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19250000 | 0.82 | PIK3CA (0.36) | PIK3CAAURKAMKNK1 | |
| SCHEMBL19249785 | 0.78 | RET (0.35) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL19250804 | 0.78 | NOS3 (0.33) | PIK3CANOS3NOS1NOS2 | |
| SCHEMBL19250854 | 0.77 | — | — | |
| SCHEMBL19250647 | 0.76 | NPSR1 (0.31) | — | |
| SCHEMBL19249529 | 0.76 | ACHE (0.39) | NOS3NOS1NOS2 | |
| SCHEMBL19250013 | 0.75 | CDK1 (0.42) | PIK3CAADORA2AADORA1 | |
| SCHEMBL14044896 | 0.74 | NOS3 (0.47) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL9977736 | 0.68 | GSK3A (0.35) | PIK3CA | |
| SCHEMBL19249457 | 0.68 | CSNK1D (0.37) | RETLRRK2CSF1RAURKAPAK4 |
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-2017133664-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT， AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |