Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL611280 | 0.72 | HPGDS (0.41) | HPGDSLTA4HBRD4ADRA1APIN1 | |
| SCHEMBL1671008 | 0.71 | ADRB2 (0.32) | — | |
| SCHEMBL1115187 | 0.70 | HPGDS (0.43) | HPGDSLTA4HBRD4ADRA1APIN1 | |
| SCHEMBL4722317 | 0.69 | HPGDS (0.39) | HPGDSLTA4HBRD4PIN1 | |
| SCHEMBL29118007 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL29014149 | 0.67 | KDM4E (0.48) | — | |
| SCHEMBL4723730 | 0.66 | LTA4H (0.39) | HPGDSLTA4HBRD4PIN1 | |
| SCHEMBL100765 | 0.66 | HPGDS (0.46) | HPGDSLTA4HBRD4ADRA1APIN1 | |
| SCHEMBL3953551 | 0.66 | HPGDS (0.38) | HPGDSLTA4HBRD4 | |
| SCHEMBL1671078 | 0.66 | ACHE (0.41) | — |
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-116217593-A | Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2023-06-06 | — | — | CN | disclosed |