Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23888768 | 1.00 | CA12 (0.57) | CA12CA1CA9HCAR1CES2 | |
| SCHEMBL20201786 | 0.80 | CA12 (0.57) | CA12CA1CA9HCAR1CES2 | |
| SCHEMBL681628 | 0.78 | CA1 (0.55) | CA12CA1CA9HCAR1CES2 | |
| SCHEMBL16954582 | 0.78 | CA12 (0.48) | CA12CA1CA9HCAR1CES2 | |
| SCHEMBL156265 | 0.74 | — | — | |
| SCHEMBL972239 | 0.74 | — | — | |
| SCHEMBL12266824 | 0.73 | ALDH1A1 (0.36) | CA12CA1CA9BACE1 | |
| SCHEMBL21551002 | 0.73 | HCAR1 (0.40) | CA12CA1CA9HCAR1BACE1 | |
| SCHEMBL2340744 | 0.73 | CYP3A4 (0.35) | CA12CA1CA9BACE1 | |
| SCHEMBL30994395 | 0.73 | ALDH1A1 (0.55) | CA12CA1CA9HCAR1HSD17B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697997-B | Substituted 3-phenoxyazetidin-1-yl-pyrazines having GPR52 agonistic activity | 勃林格殷格翰国际有限公司 | 2024-07-30 | — | — | CN | disclosed |
| CN-117940420-A | 3-Phenoxyazetidin-1-yl-heteroaryl pyrrolidine derivatives and their use as pharmaceuticals | 勃林格殷格翰国际有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-115697997-A | Substituted 3-phenoxyazetidin-1-yl-pyrazines having GPR52 agonistic activity | 勃林格殷格翰国际有限公司 | 2023-02-03 | — | — | CN | disclosed |