Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28392876 | 0.98 | CYP1A2 (0.32) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL30096033 | 0.94 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL11367105 | 0.94 | GNAI3 (0.32) | CYP1A2GNAI3GNAO1GNAI1 | |
| Bromide SCHEMBL28388954 | 0.92 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL9808364 | 0.86 | DNM1 (0.43) | GNAI3GNAO1GNAI1 | |
| SCHEMBL3952912 | 0.79 | CYP1A2 (0.32) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL9145363 | 0.78 | SIGMAR1 (0.33) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL27755096 | 0.78 | SIGMAR1 (0.33) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL27726437 | 0.78 | SIGMAR1 (0.33) | CYP1A2GNAI3GNAO1GNAI1 | |
| SCHEMBL10453574 | 0.77 | — | — |
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-112679498-B | Quaternary ammonium sulfonate compound and preparation method and application thereof | 北京耀诚惠仁科技有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-112679498-A | Sulfonic acid quaternary ammonium salt compound and preparation method and application thereof | 北京耀诚惠仁科技有限公司 | 2021-04-20 | — | — | CN | disclosed |