Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627778 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL5171234 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL2495325 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL1617171 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL5167294 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL260527 | 0.81 | CHRNA7 (0.50) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL8236713 | 0.81 | CHRM2 (0.52) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL6556633 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL5108694 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CHRNA7GAACHRM2CHRM1 | |
| SCHEMBL260902 | 0.81 | CHRNA7 (0.50) | ALDH1A1CHRNA7GAACHRM2CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109280054-A | Deuterated 3- quinuclidine ketone compounds, Preparation method and use | 上海时莱生物技术有限公司 | 2019-01-29 | — | — | CN | disclosed |
| CN-109280054-A | Deuterated 3- quinuclidine ketone compounds, Preparation method and use | 上海时莱生物技术有限公司 | 2019-01-29 | — | — | CN | disclosed |
| CN-109280056-A | Chiral 3- quinuclidine ketone compounds, Preparation method and use | 上海时莱生物技术有限公司 | 2019-01-29 | — | — | CN | disclosed |
| CN-109280056-A | Chiral 3- quinuclidine ketone compounds, Preparation method and use | 上海时莱生物技术有限公司 | 2019-01-29 | — | — | CN | disclosed |