Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.48 |
| ▸ | LSS | P48449 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28489208 | 0.88 | PDE4B (0.54) | ALDH1A1CYP3A4SMN1; SMN2PDE4BPDE4C | |
| SCHEMBL28491363 | 0.87 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2PDE4BPDE4C | |
| SCHEMBL28498536 | 0.84 | POLB (0.53) | ALDH1A1CYP3A4SMN1; SMN2PDE4BPDE4C | |
| SCHEMBL28489906 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2PDE4BPDE4C | |
| SCHEMBL28489359 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2LSSLMNAMAPT | |
| SCHEMBL28489446 | 0.80 | LSS (0.41) | ALDH1A1SMN1; SMN2PDE4BPDE4CPDE4D | |
| SCHEMBL28489447 | 0.80 | MAPT (0.41) | ALDH1A1MAPTTSHR | |
| SCHEMBL28904708 | 0.79 | CYP3A4 (0.63) | ALDH1A1CYP3A4SMN1; SMN2PDE4BPDE4C | |
| SCHEMBL7877042 | 0.75 | PDE4A (0.65) | ALDH1A1SMN1; SMN2PDE4BPDE4CPDE4D | |
| SCHEMBL7911281 | 0.73 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2LSSMAPT |
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-112110932-B | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2020-12-22 | — | — | CN | disclosed |