Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30184743 | 1.00 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29183220 | 0.86 | HTR2A (0.35) | — | |
| SCHEMBL25045984 | 0.80 | — | — | |
| SCHEMBL31020247 | 0.80 | — | — | |
| SCHEMBL25045982 | 0.75 | PDCD1 (0.36) | — | |
| SCHEMBL30184749 | 0.75 | PDCD1 (0.36) | — | |
| SCHEMBL28724728 | 0.71 | TRPV4 (0.40) | — | |
| SCHEMBL25045979 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP1A2 | |
| SCHEMBL30184723 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP1A2 | |
| SCHEMBL30507868 | 0.70 | PDE4A (0.37) | — |
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-117597341-A | Sulfonamide derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-02-23 | — | — | CN | disclosed |