Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 4/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.36 |
| ▸ | MTOR | P42345 | 5/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | EEF2 | P13639 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | LITAF | Q99732 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25436149 | 1.00 | PRKDC (0.38) | PRKDCPIK3CAMTORPDE4BATM | |
| SCHEMBL25406092 | 0.82 | PIK3CA (0.48) | PRKDCPIK3CAMTORATMATR | |
| SCHEMBL30349836 | 0.82 | PIK3CA (0.48) | PRKDCPIK3CAMTORATMATR | |
| SCHEMBL30349801 | 0.81 | EEF2K (0.48) | PIK3CAPDE4BEEF2KEEF2TNF | |
| SCHEMBL25404789 | 0.81 | EEF2K (0.48) | PIK3CAPDE4BEEF2KEEF2TNF | |
| SCHEMBL25407722 | 0.81 | ADORA2B (0.42) | PIK3CAMTORPDE4BATMADORA2B | |
| SCHEMBL30349636 | 0.81 | ADORA2B (0.42) | PIK3CAMTORPDE4BATMADORA2B | |
| SCHEMBL25407320 | 0.80 | HSD17B10 (0.46) | ATMATRADORA2B | |
| SCHEMBL30349854 | 0.80 | PRKDC (0.38) | PRKDCPIK3CAMTORTNFLITAF | |
| SCHEMBL25406873 | 0.78 | KDM4E (0.41) | PDE4BEEF2KTNFLITAFADORA2B |
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-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |