Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28779859 | 1.00 | IKBKB (0.47) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29766769 | 0.89 | IKBKB (0.46) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL28779848 | 0.82 | IKBKB (0.44) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL28779849 | 0.82 | IKBKB (0.44) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL28983512 | 0.81 | KDM1A (0.48) | IKBKBPDE4B | |
| SCHEMBL28501019 | 0.81 | KDM4E (0.41) | IKBKBALDH1A1PKM | |
| SCHEMBL25318077 | 0.74 | PDE4B (0.47) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL30986535 | 0.74 | PDE4B (0.47) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29766740 | 0.74 | IKBKB (0.43) | IKBKBPDE4BPIK3CDPIK3CAPIK3CB | |
| SCHEMBL28779927 | 0.73 | MAPK8 (0.40) | PDE4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-114716477-A | 7-substituted phosphoryl quinazoline derivative and preparation method and application thereof | 武汉人福创新药物研发中心有限公司 | 2022-07-08 | — | — | CN | disclosed |