Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960034 | 0.94 | KIF11 (0.47) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL28842622 | 0.91 | PTGS2 (0.43) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL28842830 | 0.87 | KIF11 (0.51) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL29960213 | 0.86 | HSP90AA1 (0.43) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL18361132 | 0.83 | KIF11 (0.54) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL17950009 | 0.82 | KIF11 (0.53) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL17950026 | 0.82 | KIF11 (0.53) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL18360986 | 0.82 | KIF11 (0.57) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL26496774 | 0.80 | KIF11 (0.54) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL18361010 | 0.79 | KIF11 (0.50) | KIF11HSP90AA1ALDH1A1PKMPPARG |
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-115043735-B | Reaction method of secondary amine and o-diiodobenzene | 苏州大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-115043735-A | Reaction method of secondary amine and o-diiodobenzene | 苏州大学 | 2022-09-13 | — | — | CN | disclosed |