Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9484297 | 0.85 | MCHR1 (0.40) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL18353165 | 0.81 | CYP2D6 (0.38) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL7754518 | 0.80 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL7754632 | 0.80 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL7752502 | 0.80 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL28368168 | 0.80 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1GAACYP3A4 | |
| SCHEMBL28182370 | 0.78 | SLC5A2 (0.48) | ALDH1A1CA12CA1CA2CA5A | |
| SCHEMBL5215790 | 0.77 | SLC5A2 (0.50) | ALDH1A1CA12CA1CA2CA5A | |
| SCHEMBL8540246 | 0.77 | SLC5A2 (0.50) | ALDH1A1CA12CA1CA2CA5A | |
| SCHEMBL7645735 | 0.77 | SLC5A2 (0.50) | ALDH1A1CA12CA1CA2CA5A |
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-112457232-A | Preparation method of vernakalant hydrochloride | 北京哈三联科技有限责任公司 | 2021-03-09 | — | — | CN | disclosed |