Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215985 | 0.89 | ALDH1A1 (0.64) | ALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL28216921 | 0.83 | ALDH1A1 (0.57) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL28107116 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL5583484 | 0.80 | ALDH1A1 (0.78) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| Ethylene SCHEMBL28501951 | 0.79 | ALDH1A1 (0.76) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL28070459 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| Ethylene SCHEMBL20476765 | 0.78 | ALDH1A1 (0.65) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL28256981 | 0.78 | ALDH1A1 (0.57) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL573178 | 0.78 | ALDH1A1 (0.64) | ALDH1A1MGLLTSHRTP53CYP3A4 | |
| SCHEMBL27718364 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MGLLTSHRTP53CYP3A4 |
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-105273207-B | Polycation inclusion compound, preparation method and the usage | 中国科学院上海药物研究所 | 2018-04-17 | — | — | CN | disclosed |