Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28498477 | 0.86 | CYP3A4 (0.43) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28498345 | 0.84 | CYP3A4 (0.39) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28494986 | 0.83 | CYP3A4 (0.43) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28493488 | 0.81 | CYP3A4 (0.37) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28496551 | 0.79 | CYP3A4 (0.46) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28491357 | 0.78 | KMT2A (0.42) | MEN1KMT2ATP53RAB9APOLB | |
| SCHEMBL28498337 | 0.78 | MAPT (0.45) | CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28497453 | 0.77 | CYP3A4 (0.43) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 | |
| SCHEMBL28494817 | 0.77 | ALKBH5 (0.46) | ALDH1A1KMT2AALKBH5RAB9A | |
| SCHEMBL28499811 | 0.75 | CYP3A4 (0.50) | CYP3A4ALDH1A1SMN1; SMN2ESR1MEN1 |
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 |