Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL31217500 | 1.00 | CYP3A4 (0.42) | CYP3A4IRAK4MKNK1MKNK2PARP1 | |
| SCHEMBL30688578 | 0.81 | CYP3A4 (0.61) | CYP3A4KDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL30688577 | 0.81 | CYP3A4 (0.61) | CYP3A4KDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL3968873 | 0.81 | TUBB4A (0.42) | IRAK4KDM4EALDH1A1KMT2ACHEK1 | |
| SCHEMBL27117787 | 0.77 | CYP3A4 (0.47) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL30759602 | 0.77 | CYP3A4 (0.47) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL29138030 | 0.77 | PKM (0.49) | CYP3A4ALDH1A1MAPTGAA | |
| SCHEMBL12515332 | 0.70 | CYP3A4 (0.52) | CYP3A4MKNK1MKNK2KDM4EALDH1A1 | |
| SCHEMBL3967663 | 0.69 | CYP1A2 (0.41) | CYP3A4KDM4EALDH1A1MAPTCHEK1 | |
| SCHEMBL3967662 | 0.69 | CYP1A2 (0.41) | CYP3A4KDM4EALDH1A1MAPTCHEK1 |
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-117343036-A | Isochroman compound, and pharmaceutical composition and application thereof | 江苏联环药业股份有限公司 | 2024-01-05 | — | — | CN | claimed |
| CN-117343036-A | Isochroman compound, and pharmaceutical composition and application thereof | 江苏联环药业股份有限公司 | 2024-01-05 | — | — | CN | disclosed |