Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.44 |
| ▸ | CA12 | O43570 | 13/20 | 0.44 |
| ▸ | CA9 | Q16790 | 13/20 | 0.44 |
| ▸ | CA1 | P00915 | 12/20 | 0.44 |
| ▸ | CA7 | P43166 | 9/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL23964625 | 0.80 | MEN1 (0.47) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28268433 | 0.79 | CA2 (0.44) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28268441 | 0.78 | CA12 (0.43) | CA2CA12CA9CA1CA7 | |
| SCHEMBL3530324 | 0.78 | KDM1A (0.53) | CYP2C19 | |
| SCHEMBL15766923 | 0.78 | KDM1A (0.53) | CYP2C19 | |
| SCHEMBL13556691 | 0.78 | KDM1A (0.53) | CYP2C19 | |
| SCHEMBL15541000 | 0.78 | KDM1A (0.53) | CYP2C19 | |
| SCHEMBL14045495 | 0.78 | KDM1A (0.53) | CYP2C19 | |
| SCHEMBL19378682 | 0.78 | CA2 (0.43) | CA2CA12CA9CA1CA7 | |
| SCHEMBL8031930 | 0.77 | KDM1A (0.44) | — |
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-B | Allosteric modulators of nicotinic acetylcholine receptors | 默沙东公司 | 2022-04-19 | — | — | CN | disclosed |