Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 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 | |
|---|---|---|---|---|
| SCHEMBL23966870 | 0.74 | ACHE (0.38) | ALDH1A1DDB1CRBN | |
| SCHEMBL10229046 | 0.72 | KIF11 (0.41) | ALDH1A1HAO1TSHRKIF11IDO1 | |
| SCHEMBL22341499 | 0.72 | MAOA (0.44) | ALDH1A1TSHR | |
| SCHEMBL13111202 | 0.72 | AR (0.47) | PDE2ANOS1ALDH1A1HAO1SLC6A2 | |
| SCHEMBL21035917 | 0.72 | MAOA (0.40) | ALDH1A1SLC6A4TSHR | |
| SCHEMBL9544764 | 0.71 | CA1 (0.48) | CYP3A4ALDH1A1HAO1SLC6A4 | |
| SCHEMBL14015316 | 0.71 | SLC6A2 (0.34) | ALDH1A1HAO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8744320 | 0.69 | HAO1 (0.40) | PDE2ANOS1ALDH1A1HAO1SLC6A2 | |
| SCHEMBL9544755 | 0.69 | — | — | |
| SCHEMBL12155230 | 0.69 | IDO1 (0.44) | ALDH1A1HAO1TSHRKIF11IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023000708-A1 | POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-01-26 | — | — | WO | disclosed |