Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30872174 | 0.87 | HCRTR1 (0.35) | KDM4EALDH1A1GAAMEN1HPGD | |
| SCHEMBL30872161 | 0.87 | HCRTR1 (0.48) | HCRTR2HCRTR1 | |
| SCHEMBL30872186 | 0.85 | HCRTR1 (0.45) | KDM4EALDH1A1GAAMEN1HPGD | |
| SCHEMBL30872171 | 0.84 | HCRTR1 (0.50) | HCRTR2HCRTR1 | |
| SCHEMBL30872184 | 0.82 | HCRTR1 (0.43) | HCRTR2HCRTR1POLB | |
| SCHEMBL31351491 | 0.81 | HCRTR2 (0.65) | HCRTR2HCRTR1 | |
| SCHEMBL30872154 | 0.76 | HCRTR2 (0.37) | KDM4EALDH1A1HCRTR2HCRTR1HTT | |
| SCHEMBL30872179 | 0.76 | PKM (0.38) | HCRTR2HCRTR1 | |
| SCHEMBL30872169 | 0.73 | HCRTR2 (0.38) | MEN1KMT2AHCRTR2HCRTR1L3MBTL1 | |
| SCHEMBL30872180 | 0.72 | HCRTR1 (0.43) | HCRTR2HCRTR1 |
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-2024109672-A1 | DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLE METHYL KETONE DERIVATIVE AND APPLICATION THEREOF | 江苏恩华药业股份有限公司 | 2024-05-30 | — | — | WO | disclosed |