Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
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 | 0.83 | PDE4B (0.54) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2PDE4B | |
| SCHEMBL28491363 | 0.82 | ALDH1A1 (0.64) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2PDE4B | |
| SCHEMBL10608374 | 0.81 | CYP3A4 (0.64) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2MEN1 | |
| SCHEMBL10605706 | 0.81 | CYP3A4 (0.64) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2MEN1 | |
| SCHEMBL28496485 | 0.80 | CYP3A4 (0.63) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2MEN1 | |
| SCHEMBL28489906 | 0.79 | ALDH1A1 (0.50) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2PDE4B | |
| SCHEMBL28498536 | 0.79 | POLB (0.53) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2PDE4B | |
| SCHEMBL28498349 | 0.79 | ALDH1A1 (0.50) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2PDE4B | |
| SCHEMBL26782451 | 0.78 | CYP3A4 (1.00) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2MEN1 | |
| SCHEMBL10605691 | 0.77 | CYP3A4 (0.63) | CYP3A4ALDH1A1ALKBH5SMN1; SMN2MEN1 |
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 |