Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 12/20 | 0.43 |
| ▸ | CA9 | Q16790 | 12/20 | 0.43 |
| ▸ | CA2 | P00918 | 12/20 | 0.43 |
| ▸ | CA1 | P00915 | 11/20 | 0.43 |
| ▸ | CA7 | P43166 | 9/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28268433 | 0.79 | CA2 (0.44) | CA12CA9CA2CA1CA7 | |
| SCHEMBL28317778 | 0.78 | MAPK1 (0.45) | CYP2C19ADAMTS5ALDH1A1 | |
| SCHEMBL29520353 | 0.78 | CA2 (0.44) | CA12CA9CA2CA1CA7 | |
| SCHEMBL3866422 | 0.78 | MAPK1 (0.47) | CYP2C19ADAMTS5 | |
| SCHEMBL28316732 | 0.77 | LMNA (0.39) | CA2CA1CYP2C19ADAMTS5PTPN2 | |
| SCHEMBL19378682 | 0.75 | CA2 (0.43) | CA12CA9CA2CA1CA7 | |
| SCHEMBL7317859 | 0.73 | HAO1 (0.44) | — | |
| SCHEMBL23964625 | 0.73 | MEN1 (0.47) | CA12CA9CA2CA1CA7 | |
| SCHEMBL28190200 | 0.71 | NPSR1 (0.43) | — | |
| SCHEMBL19385960 | 0.70 | CA2 (0.44) | CA12CA9CA2CA1CA7 |
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-109153649-A | The allosteric modulators of nicotinic acetylcholine receptor | 默沙东公司 | 2019-01-04 | — | — | CN | disclosed |