Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 8/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.38 |
| ▸ | SRC | P12931 | 6/20 | 0.37 |
| ▸ | PRKDC | P78527 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133769 | 0.93 | PIK3CA (0.46) | PIK3CAPIK3CGMTORPIK3CDPIK3CB | |
| SCHEMBL29133758 | 0.85 | EGFR (0.42) | MELKPIK3CAPIK3CGPIK3CDPIK3CB | |
| SCHEMBL29133729 | 0.85 | EGFR (0.52) | MELKPIK3CAEGFRERBB2SRC | |
| SCHEMBL29133697 | 0.84 | MELK (0.49) | MELKEGFRPRKDC | |
| SCHEMBL29133713 | 0.84 | EGFR (0.44) | PIK3CAPIK3CGMTORPIK3CDPIK3CB | |
| SCHEMBL29133706 | 0.83 | ATM (0.40) | PIK3CAEGFRSRCPRKDC | |
| SCHEMBL29133737 | 0.83 | MAP4K4 (0.42) | MELKPIK3CAPIK3CGEGFRSRC | |
| SCHEMBL29133757 | 0.83 | EGFR (0.55) | MELKPIK3CAMTORPIK3CDEGFR | |
| SCHEMBL29133740 | 0.83 | EGFR (0.55) | MELKPIK3CAMTORPIK3CDEGFR | |
| SCHEMBL29133705 | 0.83 | EGFR (0.41) | MELKPIK3CAEGFRSRCPRKDC |
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 |