Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CTSA | P10619 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | SI | P14410 | 3/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29014160 | 0.80 | HCRTR1 (0.48) | HCRTR1HCRTR2KMT2ACTSAAR | |
| SCHEMBL30960750 | 0.79 | HCRTR1 (0.45) | HCRTR1HCRTR2KMT2ACTSAAR | |
| SCHEMBL8567274 | 0.78 | PDPK1 (0.55) | HCRTR1HCRTR2PDPK1ARMGAM | |
| SCHEMBL30960727 | 0.76 | ALB (0.45) | KMT2APDPK1CTSAMGAMGAA | |
| SCHEMBL29228640 | 0.76 | CES2 (0.39) | KMT2ACES2CES1KDM4EALDH1A1 | |
| SCHEMBL29228633 | 0.76 | ALB (0.45) | KMT2APDPK1CTSAMGAMGAA | |
| SCHEMBL1586160 | 0.76 | HCRTR1 (0.45) | HCRTR1HCRTR2CES2CES1KDM4E | |
| SCHEMBL28839674 | 0.75 | KDM4E (0.41) | PDPK1ECE1PTGDR2KDM4EALDH1A1 | |
| SCHEMBL19259537 | 0.74 | HCRTR1 (0.41) | HCRTR1HCRTR2KMT2ACTSAECE1 | |
| SCHEMBL5698661 | 0.74 | CYP1A2 (0.53) | PDPK1GAAECE1PTGDR2KDM4E |
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-116217593-B | Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-118027018-A | Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof | 江苏恩华药业股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| 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 |