Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22275563 | 1.00 | NQO2 (0.54) | NQO2CA9CA12CA1CA3 | |
| SCHEMBL22275184 | 0.83 | NQO2 (0.54) | NQO2CA9CA12CA1CA3 | |
| SCHEMBL677189 | 0.81 | NQO2 (0.62) | NQO2CA9CA1CYP1A2ESR1 | |
| SCHEMBL31037122 | 0.81 | NQO2 (0.62) | NQO2CA9CA1CYP1A2ESR1 | |
| SCHEMBL21554223 | 0.78 | HSD17B1 (0.46) | CA9CA3CA6CA5ACA14 | |
| SCHEMBL23735925 | 0.75 | ESR1 (0.51) | CA9CA12CA1DAOFLT3 | |
| SCHEMBL12316913 | 0.75 | PTPN11 (0.41) | CA9CA3CA6CA5ACA14 | |
| SCHEMBL20314903 | 0.75 | CA1 (0.37) | CA9CA12CA1CA3CA6 | |
| SCHEMBL6346791 | 0.74 | CA3 (0.48) | CA9CA3CA6CA5ACA14 | |
| SCHEMBL2529937 | 0.74 | HSD17B1 (0.59) | NQO2CA9CA3CA6CA5A |
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-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |