Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 20/20 | 0.76 |
| ▸ | HDAC1 | Q13547 | 20/20 | 0.76 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.57 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.57 |
| ▸ | MTOR | P42345 | 1/20 | 0.57 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL31538407 | 0.73 | PIK3CA (0.62) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL22745223 | 0.72 | PIK3CA (0.51) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL31538402 | 0.70 | PIK3CA (0.56) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL7102186 | 0.68 | CYP4Z1 (0.48) | — | |
| SCHEMBL22745224 | 0.67 | PIK3CA (0.46) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL6307266 | 0.65 | CYP4F2 (0.56) | — | |
| SCHEMBL22745039 | 0.64 | PIK3CA (0.48) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL2958891 | 0.64 | HSD11B1 (0.43) | HDAC1HDAC2 | |
| SCHEMBL31538445 | 0.64 | PIK3CA (0.52) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL4329011 | 0.64 | ENPP1 (0.63) | HDAC1HDAC4HDAC2HDAC8HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111646973-B | Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-111646973-A | Polysubstituted quinazoline derivative and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-09-11 | — | — | CN | disclosed |