Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 3/20 | 0.35 |
| ▸ | TYK2 | P29597 | 3/20 | 0.35 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL30822710 | 0.87 | CYP1A2 (0.40) | CYP1A2JAK1TYK2JAK3JAK2 | |
| SCHEMBL30822652 | 0.85 | JAK2 (0.39) | JAK1TYK2JAK3JAK2PARP1 | |
| SCHEMBL30822647 | 0.82 | CYP1A2 (0.35) | CYP1A2JAK1TYK2JAK3JAK2 | |
| SCHEMBL30822741 | 0.80 | ALK (0.41) | JAK2PARP1ALK | |
| SCHEMBL30822724 | 0.77 | CYP1A2 (0.35) | CYP1A2JAK1TYK2JAK3JAK2 | |
| SCHEMBL30822667 | 0.74 | JAK2 (0.39) | JAK1TYK2JAK3JAK2PARP1 | |
| SCHEMBL30822713 | 0.74 | PIK3R1 (0.41) | CYP1A2JAK1TYK2JAK3PIK3R1 | |
| SCHEMBL29164722 | 0.74 | PIK3R1 (0.41) | CYP1A2JAK1TYK2JAK3PIK3R1 | |
| SCHEMBL29164724 | 0.74 | PIK3R1 (0.41) | CYP1A2JAK1TYK2JAK3PIK3R1 | |
| SCHEMBL30822704 | 0.72 | ALK (0.36) | PARP1ALK |
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-117659001-A | Aminopyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-03-08 | — | — | CN | disclosed |