Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.43 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL28845871 | 0.88 | SIRT6 (0.67) | SIRT6MAPTALDH1A1HTR6LMNA | |
| SCHEMBL28845809 | 0.88 | SIRT6 (0.51) | SIRT6MAPTALDH1A1HTR6CHEK1 | |
| SCHEMBL591154 | 0.80 | SIRT6 (0.64) | SIRT6MAPTALDH1A1HTR6MAPK1 | |
| SCHEMBL939887 | 0.80 | SIRT6 (0.74) | SIRT6MAPTALDH1A1HTR6MAPK1 | |
| Hydrochloric Acid SCHEMBL590998 | 0.78 | SIRT6 (0.63) | SIRT6MAPTALDH1A1HTR6MAPK1 | |
| SCHEMBL4365700 | 0.77 | MAPT (0.66) | MAPTALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL28845823 | 0.76 | SIRT6 (0.69) | SIRT6MAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL5243267 | 0.75 | SIRT6 (0.68) | SIRT6MAPTALDH1A1HTR6LMNA | |
| SCHEMBL4878889 | 0.75 | SIRT6 (0.68) | SIRT6MAPTALDH1A1HTR6LMNA | |
| Hydrochloric Acid SCHEMBL591979 | 0.74 | SIRT6 (0.57) | SIRT6MAPTALDH1A1HTR6LMNA |
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 |