Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 13/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28452633 | 0.85 | PIK3CA (0.39) | HTR1BPIK3CAHDAC1PIK3CDPIK3R1 | |
| SCHEMBL28454445 | 0.84 | TDP1 (0.41) | PIK3CAHDAC1ALDH1A1PIK3CDPIK3R1 | |
| SCHEMBL28450348 | 0.83 | HTR1B (0.40) | HTR1BPIK3CAHDAC1PIK3CDPIK3R1 | |
| SCHEMBL28449889 | 0.80 | PIK3CA (0.39) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28454444 | 0.80 | PIK3CA (0.36) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28457786 | 0.80 | PIK3CA (0.42) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28457879 | 0.79 | PIK3CA (0.41) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28457784 | 0.79 | PIK3CA (0.38) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28450346 | 0.78 | PIK3CA (0.42) | PIK3CAHDAC1PIK3CDPIK3R1PIK3CB | |
| SCHEMBL28452632 | 0.77 | SCN4A (0.34) | PIK3CAHDAC1CYP1A2CYP2D6CYP2C9 |
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 |