Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 19/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 19/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL28457784 | 0.93 | PIK3CA (0.38) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28452632 | 0.86 | SCN4A (0.34) | PIK3CAHDAC1 | |
| SCHEMBL28449889 | 0.84 | PIK3CA (0.39) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28457879 | 0.83 | PIK3CA (0.41) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28450346 | 0.82 | PIK3CA (0.42) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28454600 | 0.80 | HTR1B (0.41) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28452633 | 0.78 | PIK3CA (0.39) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL20350988 | 0.78 | HTR7 (0.42) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL20351048 | 0.77 | PIK3CA (0.38) | PIK3CAHDAC1PIK3R1 | |
| SCHEMBL28454445 | 0.77 | TDP1 (0.41) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB |
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 |