Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28496485 | 0.90 | CYP3A4 (0.63) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28489351 | 0.87 | CYP3A4 (0.53) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28499806 | 0.87 | CYP3A4 (0.57) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28498351 | 0.86 | ALDH1A1 (0.52) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28494826 | 0.85 | CYP3A4 (0.56) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28504348 | 0.85 | ALKBH5 (0.62) | CYP3A4ALDH1A1ALKBH5KMT2AGLA | |
| SCHEMBL10607777 | 0.82 | CYP3A4 (0.65) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28489356 | 0.82 | ALDH1A1 (0.47) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA | |
| SCHEMBL28495982 | 0.79 | HTT (0.60) | CYP3A4ALDH1A1KMT2AGLALMNA | |
| SCHEMBL10607245 | 0.78 | CYP3A4 (0.66) | CYP3A4ALDH1A1ALKBH5KMT2ALMNA |
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 |