Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20766907 | 0.82 | CYP3A4 (0.64) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL23559070 | 0.79 | IDO1 (0.49) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL28084075 | 0.79 | CYP3A4 (0.53) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6334824 | 0.78 | IDO1 (0.65) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL28811546 | 0.77 | IDO1 (0.52) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL28812903 | 0.77 | IDO1 (0.52) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL870689 | 0.77 | CYP3A4 (0.63) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL16382293 | 0.76 | IDO1 (0.73) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL31408101 | 0.76 | IDO1 (0.73) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL30954802 | 0.76 | IDO1 (0.60) | NOTUMIDO1CYP3A4CYP1A2CYP2D6 |
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-114849649-B | Ion hybridization porous material with zsd topological structure, and preparation method and application thereof | 浙江师范大学 | 2023-06-02 | — | — | CN | disclosed |
| CN-114849649-A | Ion hybrid porous material with zsd topological structure and preparation method and application thereof | 浙江师范大学 | 2022-08-05 | — | — | CN | disclosed |