Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 3/20 | 0.32 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29580770 | 1.00 | CYP1A2 (0.41) | CYP1A2GAAALDH1A1POLBPDE4A | |
| SCHEMBL28895285 | 0.88 | CYP1A2 (0.40) | CYP1A2GAAALDH1A1POLBPDE4A | |
| SCHEMBL29580305 | 0.88 | CYP1A2 (0.40) | CYP1A2GAAALDH1A1POLBPDE4A | |
| SCHEMBL28895292 | 0.77 | CYP1A2 (0.50) | CYP1A2GAAALDH1A1POLB | |
| SCHEMBL28895242 | 0.76 | CYP1A2 (0.49) | CYP1A2GAAALDH1A1POLB | |
| SCHEMBL15727821 | 0.76 | CYP1A2 (0.39) | CYP1A2GAA | |
| SCHEMBL28895109 | 0.75 | CYP1A2 (0.41) | CYP1A2GAAALDH1A1POLBPDE4A | |
| SCHEMBL28895136 | 0.74 | CYP1A2 (0.47) | CYP1A2GAAALDH1A1POLB | |
| SCHEMBL28895199 | 0.72 | KDM4E (0.33) | GAAALDH1A1KCNJ1 | |
| SCHEMBL29581802 | 0.72 | KDM4E (0.33) | GAAALDH1A1KCNJ1 |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |