Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL4572772 | 0.75 | CRHBP (0.42) | — | |
| SCHEMBL7650488 | 0.73 | ALDH1A1 (0.37) | TDP1 | |
| SCHEMBL103831 | 0.69 | NPC1 (0.38) | TDP1 | |
| SCHEMBL28362548 | 0.69 | ALDH1A1 (0.37) | TDP1 | |
| SCHEMBL28752013 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL31643462 | 0.68 | GRIK1 (0.36) | TDP1 | |
| SCHEMBL19588509 | 0.67 | CYP2A6 (0.37) | TDP1NQO2 | |
| SCHEMBL464991 | 0.65 | ALDH1A1 (0.40) | TDP1 | |
| SCHEMBL28864155 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL4572757 | 0.64 | ALDH1A1 (0.41) | TDP1NQO2 |
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-113101899-B | Organic aryne doped porous aromatic skeleton composite material and preparation method and application thereof | 东北师范大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-113101899-A | Organic aryne doped porous aromatic skeleton composite material and preparation method and application thereof | 东北师范大学 | 2021-07-13 | — | — | CN | disclosed |