Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.46 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.46 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.44 |
| ▸ | PIP4K2B | P78356 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 4/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.43 |
| ▸ | MTOR | P42345 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | PRF1 | P14222 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28800820 | 0.90 | PKM (0.52) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28946371 | 0.88 | AKT1 (0.52) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28800837 | 0.88 | TSHR (0.53) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28800826 | 0.86 | ACLY (0.47) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL29808034 | 0.85 | TP53 (0.54) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL22230460 | 0.85 | TP53 (0.54) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28800816 | 0.85 | AKT1 (0.54) | TP53MAPTSMN1; SMN2PIK3C3BDKRB1 | |
| SCHEMBL22230480 | 0.85 | PIP4K2A (0.50) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28800815 | 0.84 | PIK3C3 (0.58) | TSHRCYP2C9TP53MAPTSMN1; SMN2 | |
| SCHEMBL28800806 | 0.83 | PIK3C3 (0.56) | PIK3C3PIK3CAPRF1PIK3CB |
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-109721531-B | Novel liposome kinase inhibitor | 中国科学院合肥物质科学研究院 | 2022-07-29 | — | — | CN | disclosed |
| WO-2020147097-A1 | NOVEL LIPOSOME KINASE INHIBITOR | 中国科学院合肥物质科学研究院 | 2020-07-23 | — | — | WO | disclosed |