Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30688577 | 0.84 | CYP3A4 (0.61) | CYP3A4CA2CA1CA9CA7 | |
| SCHEMBL30688578 | 0.84 | CYP3A4 (0.61) | CYP3A4CA2CA1CA9CA7 | |
| SCHEMBL27117787 | 0.83 | CYP3A4 (0.47) | PKMCYP3A4TSHRACHEALDH1A1 | |
| SCHEMBL30759602 | 0.83 | CYP3A4 (0.47) | PKMCYP3A4TSHRACHEALDH1A1 | |
| SCHEMBL31217500 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1MAPTGAA | |
| SCHEMBL29138028 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1MAPTGAA | |
| SCHEMBL31525908 | 0.74 | PKM (0.58) | PKMCA2CA1CA12CA9 | |
| SCHEMBL10640095 | 0.74 | PKM (0.58) | PKMCA2CA1CA12CA9 | |
| SCHEMBL31172537 | 0.72 | PKM (0.56) | PKMCYP3A4CA2CA1CA12 | |
| SCHEMBL11688578 | 0.72 | PKM (0.70) | PKMCA2CA1CA12CA9 |
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 1 patent. 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 | disclosed |