Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960213 | 0.95 | HSP90AA1 (0.43) | PTGS2KIF11HSP90AA1ALDH1A1PKM | |
| SCHEMBL28842855 | 0.91 | KIF11 (0.51) | PTGS2KIF11HSP90AA1ALDH1A1PKM | |
| SCHEMBL29960034 | 0.86 | KIF11 (0.47) | PTGS2KIF11HSP90AA1ALDH1A1PKM | |
| SCHEMBL28842667 | 0.86 | PGR (0.39) | KIF11ALDH1A1PPARGMAPTNPSR1 | |
| SCHEMBL28842830 | 0.79 | KIF11 (0.51) | PTGS2KIF11HSP90AA1ALDH1A1PKM | |
| SCHEMBL28842827 | 0.76 | MGLL (0.46) | ALDH1A1MAPTCYP2C19ATMP2RX4 | |
| SCHEMBL18361132 | 0.75 | KIF11 (0.54) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL28842795 | 0.74 | METAP2 (0.39) | KIF11ALDH1A1PPARGMAPTNPSR1 | |
| SCHEMBL17950026 | 0.74 | KIF11 (0.53) | KIF11HSP90AA1ALDH1A1PKMPPARG | |
| SCHEMBL18360986 | 0.74 | KIF11 (0.57) | 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 |