Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30436871 | 0.77 | JAK3 (0.51) | ACACBACACAPARP1 | |
| SCHEMBL30436768 | 0.77 | MKNK1 (0.52) | NR4A2ACACBACACA | |
| SCHEMBL30437026 | 0.74 | MKNK1 (0.50) | — | |
| SCHEMBL30436722 | 0.72 | ALK (0.41) | AXLACACBACACAPARP1 | |
| SCHEMBL30437354 | 0.72 | GRIN2B (0.46) | ACACBACACAPARP1 | |
| SCHEMBL30437428 | 0.71 | GRIN1 (0.46) | PARP1 | |
| SCHEMBL21955797 | 0.68 | PARP1 (0.51) | NR4A2AXLPARP1KDM4EALDH1A1 | |
| SCHEMBL11606838 | 0.68 | ALDH1A1 (0.40) | ADORA2AADORA2BADORA1KDM4ETDP1 | |
| SCHEMBL25544889 | 0.67 | PTPN1 (0.51) | AXLEGLN1ADORA2AADORA1KDM4E | |
| SCHEMBL30174223 | 0.67 | NR4A2 (0.39) | NR4A2KDM4ETDP1ALDH1A1HPGD |
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-116102549-A | 5-aldehyde heterocyclic amide compound and application thereof | 暨南大学 | 2023-05-12 | — | — | CN | claimed |