Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL31749244 | 0.83 | ABL1 (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL24638444 | 0.78 | CYP1A2 (0.43) | L3MBTL1JAK2KDM4ENPC1RAB9A | |
| SCHEMBL30877445 | 0.78 | CYP2C9 (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10125216 | 0.76 | POLB (0.45) | L3MBTL1KDM4ENOD2NOD1CYP2C9 | |
| SCHEMBL1719650 | 0.75 | IKBKB (0.48) | IKBKBCHUKPIK3CA | |
| SCHEMBL31749430 | 0.75 | HDAC1 (0.39) | PDE4APDE4BPDE4CPDE4DGRM4 | |
| SCHEMBL14510748 | 0.74 | OPRM1 (0.34) | IKBKBCHUKALDH1A1CA2CA9 | |
| SCHEMBL17973534 | 0.74 | CYP2C9 (0.42) | L3MBTL1KDM4ENOD2NOD1CYP2C9 | |
| SCHEMBL5098088 | 0.73 | MAPK1 (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL1718745 | 0.73 | JAK2 (0.41) | PDE4APDE4BPDE4CPDE4DIKBKB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929674-B | Compound containing 1, 4-dihydro quinazoline structure, preparation method and application thereof | 中国药科大学 | 2023-09-22 | — | — | CN | disclosed |
| CN-113248482-B | Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-113248482-A | Compound containing benzo five-membered heterocyclic structure and preparation method and application thereof | 中国药科大学 | 2021-08-13 | — | — | CN | disclosed |