Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30085522 | 1.00 | CYP3A4 (0.61) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL30085524 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL28894900 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL28894859 | 0.89 | HPGD (0.59) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL30085624 | 0.89 | HPGD (0.59) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL30085495 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL28894723 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL25460340 | 0.88 | HPGD (0.61) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL30085406 | 0.88 | HPGD (0.61) | CYP3A4CYP2D6HRH4CYP1A2CLK4 | |
| SCHEMBL30085580 | 0.87 | PIK3CA (0.53) | CYP3A4CYP2D6HRH4CYP1A2CLK4 |
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 |