Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2346017 | 0.85 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| SCHEMBL11269180 | 0.80 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL10665397 | 0.76 | CYP2D6 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL2223278 | 0.74 | CYP2D6 (0.32) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL21813306 | 0.74 | CYP2D6 (0.37) | CYP2D6CYP2C19 | |
| SCHEMBL1979548 | 0.74 | SMN1; SMN2 (0.38) | CYP2D6CYP2C19ALDH1A1TSHR | |
| SCHEMBL18630868 | 0.72 | CYP2D6 (0.36) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9736181 | 0.72 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL9065626 | 0.71 | — | — | |
| SCHEMBL6290256 | 0.70 | TDP1 (0.36) | CYP2C19ALDH1A1TSHR |
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-115433235-A | Organic phosphaphenanthrene derivative with hydroxyl structure and preparation method thereof | 中国科学院化学研究所 | 2022-12-06 | — | — | CN | disclosed |