Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16123326 | 0.90 | PDGFRB (0.42) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL24992096 | 0.90 | CA1 (0.40) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL5899542 | 0.84 | CA1 (0.51) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL30124283 | 0.84 | CA1 (0.51) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL2635766 | 0.84 | CA1 (0.51) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL16099915 | 0.83 | HIF1A (0.45) | CA1CA2CA9HIF1ALPL | |
| SCHEMBL30380201 | 0.83 | HIF1A (0.45) | CA1CA2CA9HIF1ALPL | |
| SCHEMBL31391204 | 0.83 | CA1 (0.53) | CA1CA2CA9ROCK1HIF1A | |
| SCHEMBL21198519 | 0.82 | GAA (0.41) | HIF1AALDH1A1TGM2EGFRDGAT1 | |
| SCHEMBL31568575 | 0.82 | CA1 (0.47) | CA1CA2CA9ROCK1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023011581-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-02-09 | — | — | WO | disclosed |