Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29890979 | 0.85 | MAPT (0.55) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL21275165 | 0.84 | SMN1; SMN2 (0.59) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL25387575 | 0.82 | MAPT (0.56) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29892052 | 0.81 | WDR5 (0.62) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL27963778 | 0.76 | ALDH1A1 (0.62) | MAPTALDH1A1LMNANPSR1MAPK1 | |
| SCHEMBL15016552 | 0.76 | ALDH1A1 (0.64) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL5324355 | 0.76 | MAPT (0.63) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL30198563 | 0.76 | MAPT (0.63) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28845856 | 0.75 | SMN1; SMN2 (0.61) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28845813 | 0.75 | ALDH1A1 (0.44) | MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109734674-B | Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |