Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL423796 | 0.87 | AKR1C3 (0.62) | SCN9AAKR1C3AKR1C2KIF11PDK2 | |
| SCHEMBL29630556 | 0.85 | ALDH1A1 (0.51) | SCN9AAKR1C3AKR1C2ALDH1A1HPGD | |
| SCHEMBL7466543 | 0.85 | KIF11 (0.55) | AKR1C3AKR1C2KIF11MAOAMAOB | |
| SCHEMBL3343465 | 0.80 | NOTUM (0.50) | SCN9APDK2ALDH1A1HPGDPPARG | |
| SCHEMBL16195647 | 0.78 | DHODH (0.52) | SCN9AAKR1C3AKR1C2ALDH1A1HPGD | |
| SCHEMBL14925354 | 0.78 | PDK2 (0.51) | AKR1C3AKR1C2KIF11MAOAMAOB | |
| SCHEMBL14925368 | 0.76 | PDK2 (0.50) | SCN9AAKR1C3AKR1C2KIF11MAOA | |
| SCHEMBL30469528 | 0.76 | RXRA (0.51) | AKR1C3AKR1C2ALDH1A1HPGDPPARG | |
| SCHEMBL21609788 | 0.76 | RXRA (0.51) | AKR1C3AKR1C2ALDH1A1HPGDPPARG | |
| SCHEMBL121673 | 0.75 | AKR1C3 (0.61) | SCN9AAKR1C3AKR1C2PDK2ALDH1A1 |
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-114656433-A | Thioisoprophorone bridge modified double-donor organic optical nonlinear chromophore and synthetic method and application thereof | 广州大学 | 2022-06-24 | — | — | CN | claimed |
| CN-114656433-A | Thioisoprophorone bridge modified double-donor organic optical nonlinear chromophore and synthetic method and application thereof | 广州大学 | 2022-06-24 | — | — | CN | disclosed |