Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | BMP1 | P13497 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28509168 | 0.84 | KMT2A (0.51) | ALDH1A1KMT2ABMP1LMNASMN1; SMN2 | |
| SCHEMBL28498351 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP3A4ALKBH5KMT2AABCB1 | |
| SCHEMBL28489475 | 0.83 | KMT2A (0.44) | CYP3A4KMT2ABMP1 | |
| SCHEMBL28489476 | 0.82 | BMP1 (0.44) | KMT2ABMP1ABCB1LMNAMAPK1 | |
| SCHEMBL28501713 | 0.82 | CYP3A4 (0.61) | ALDH1A1CYP3A4ALKBH5KMT2AABCB1 | |
| SCHEMBL28496485 | 0.81 | CYP3A4 (0.63) | ALDH1A1CYP3A4ALKBH5KMT2AABCB1 | |
| SCHEMBL1159230 | 0.79 | KMT2A (0.52) | ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL28504348 | 0.79 | ALKBH5 (0.62) | ALDH1A1CYP3A4ALKBH5KMT2ASMN1; SMN2 | |
| SCHEMBL28499806 | 0.78 | CYP3A4 (0.57) | ALDH1A1CYP3A4ALKBH5KMT2AABCB1 | |
| SCHEMBL28489351 | 0.78 | CYP3A4 (0.53) | ALDH1A1CYP3A4ALKBH5KMT2AABCB1 |
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 |