Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.55 |
| ▸ | PRKDC | P78527 | 4/20 | 0.55 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.33 |
| ▸ | MELK | Q14680 | 3/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133740 | 1.00 | EGFR (0.55) | EGFRPRKDCPIK3CAAKT1ABL1 | |
| SCHEMBL29133778 | 0.89 | PIK3CA (0.44) | EGFRPRKDCPIK3CAPIK3CDMTOR | |
| SCHEMBL29133705 | 0.88 | EGFR (0.41) | EGFRPRKDCPIK3CAABL1SRC | |
| SCHEMBL29133713 | 0.88 | EGFR (0.44) | EGFRPRKDCPIK3CAABL1SRC | |
| SCHEMBL29133699 | 0.87 | EGFR (0.40) | EGFRPRKDCPIK3CAABL1SRC | |
| SCHEMBL29133758 | 0.85 | EGFR (0.42) | EGFRPRKDCPIK3CAABL1TNIK | |
| SCHEMBL29133729 | 0.85 | EGFR (0.52) | EGFRPRKDCPIK3CAABL1SRC | |
| SCHEMBL29133769 | 0.84 | PIK3CA (0.46) | PIK3CAPIK3CDMTOR | |
| SCHEMBL29133737 | 0.84 | MAP4K4 (0.42) | EGFRPRKDCPIK3CAABL1SRC | |
| SCHEMBL29133763 | 0.83 | MELK (0.38) | EGFRPRKDCPIK3CAABL1SRC |
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-117295716-A | Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors | 麦克尼斯迪克治疗有限公司 | 2023-12-26 | — | — | CN | disclosed |