Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.60 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.59 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.58 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ROS1 | P08922 | 4/20 | 0.50 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894649 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL30085536 | 0.92 | PIK3CA (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL28895000 | 0.92 | PIK3CA (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL30085495 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL28894723 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL28894647 | 0.89 | PIM1 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL30085814 | 0.89 | PIM1 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL30085626 | 0.86 | TSHR (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL28895015 | 0.86 | TSHR (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA | |
| SCHEMBL28894784 | 0.86 | P4HTM (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19PIK3CA |
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-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | claimed |
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |