Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1238835 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL80635 | 0.86 | HTT (0.46) | ALDH1A1KDM4EALOX5GAAMAPT | |
| Toluene SCHEMBL28208070 | 0.85 | HTT (0.50) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL16105820 | 0.85 | DAO (0.55) | ALDH1A1HTTDAOTRPV3MAOA | |
| SCHEMBL8668581 | 0.83 | CYP17A1 (0.53) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL2956903 | 0.83 | BCHE (0.47) | HTTCA2DAO | |
| SCHEMBL14656275 | 0.82 | KDM4E (0.65) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL9904465 | 0.81 | ROCK2 (0.41) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL6625552 | 0.80 | KDM4E (0.47) | ALDH1A1KDM4EALOX5GAAMAPT | |
| SCHEMBL12022127 | 0.80 | DAO (0.49) | ALDH1A1KDM4EALOX5GAAMAPT |
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-118344371-A | Azaspiro compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2024-07-16 | — | — | CN | disclosed |