Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PRNP | P04156 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534237 | 1.00 | CYP2C19 (0.54) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL29935493 | 0.80 | L3MBTL1 (0.42) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL22534233 | 0.80 | L3MBTL1 (0.42) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL5027088 | 0.78 | MAPT (0.63) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL22534371 | 0.76 | PRNP (0.50) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL29935543 | 0.76 | PRNP (0.50) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL9821782 | 0.75 | CYP2C9 (0.70) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL7936194 | 0.74 | MAPT (0.73) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL6892230 | 0.74 | CYP2C9 (0.77) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 | |
| SCHEMBL5803966 | 0.74 | CYP2C9 (0.60) | CYP2C19CYP2C9MAPTKMT2AALDH1A1 |
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-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |