Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31413543 | 0.86 | SMN1; SMN2 (0.50) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413570 | 0.86 | KDM4E (0.44) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413553 | 0.86 | NPC1 (0.50) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413551 | 0.86 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19HPGDGAA | |
| SCHEMBL31413560 | 0.86 | NPC1 (0.60) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413580 | 0.84 | SMN1; SMN2 (0.57) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413559 | 0.83 | NTRK1 (0.44) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413564 | 0.81 | NPC1 (0.57) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413548 | 0.77 | SMN1; SMN2 (0.50) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL31413597 | 0.77 | MAPT (0.58) | CYP1A2CYP2C9CYP2C19HPGDALDH1A1 |
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-119504744-A | C3 arylformyloxy 4H-pyrido [1,2-a ] pyrimidine-4-ketone derivative and synthetic method thereof | 山西医科大学 | 2025-02-25 | — | — | CN | disclosed |