Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL38651056 | 0.88 | ALDH1A1 (0.39) | GAAPOLBNR1I2OPRM1DRD3 | |
| SCHEMBL38650796 | 0.87 | EGFR (0.43) | CYP1A2CYP2C9CYP2C19HTTNR1I2 | |
| SCHEMBL38651026 | 0.87 | NR1I2 (0.38) | NR1I2OPRM1DRD3OPRD1EGFR | |
| SCHEMBL38651042 | 0.87 | NR1I2 (0.48) | NR1I2OPRM1DRD3OPRD1EGFR | |
| SCHEMBL38650960 | 0.87 | MEN1 (0.41) | GAAPOLBNR1I2OPRM1DRD3 | |
| SCHEMBL38650963 | 0.86 | NR1I2 (0.38) | CYP1A2CYP2C9CYP2C19HTTNR1I2 | |
| SCHEMBL38650882 | 0.86 | NR1I2 (0.39) | NR1I2OPRM1DRD3OPRD1EGFR | |
| SCHEMBL38650718 | 0.85 | MAPT (0.38) | NR1I2OPRM1DRD3OPRD1EGFR | |
| SCHEMBL38650983 | 0.85 | HTT (0.39) | CYP1A2CYP2C9CYP2C19HTTGAA | |
| SCHEMBL38650826 | 0.85 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19HTTCTDSP1 |
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-122010870-A | Ester group substitution dibenzothio of (C) Synthesis method of azepine derivative | 新疆大学 | 2026-05-12 | — | — | CN | disclosed |