Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28454444 | 0.86 | PIK3CA (0.36) | PIK3CAHDAC1 | |
| SCHEMBL28457784 | 0.85 | PIK3CA (0.38) | PIK3CAHDAC1 | |
| SCHEMBL28449889 | 0.81 | PIK3CA (0.39) | PIK3CAHDAC1 | |
| SCHEMBL21518587 | 0.80 | PIK3CA (0.34) | PIK3CAHDAC1 | |
| SCHEMBL28457879 | 0.79 | PIK3CA (0.41) | PIK3CAHDAC1 | |
| SCHEMBL20351048 | 0.79 | PIK3CA (0.38) | LMNATSHRPIK3CAHDAC1 | |
| SCHEMBL28450346 | 0.78 | PIK3CA (0.42) | PIK3CAHDAC1 | |
| SCHEMBL28454600 | 0.77 | HTR1B (0.41) | CYP1A2CYP2D6CYP2C9PIK3CAHDAC1 | |
| SCHEMBL20350896 | 0.77 | NQO2 (0.46) | PIK3CAHDAC1 | |
| SCHEMBL20351059 | 0.75 | PIK3CA (0.39) | LMNATSHRPIK3CAHDAC1 |
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 |