Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30872176 | 0.87 | KDM4E (0.47) | HCRTR1HCRTR2KDM4EALDH1A1KMT2A | |
| SCHEMBL30872186 | 0.84 | HCRTR1 (0.45) | HCRTR1HCRTR2KDM4EALDH1A1KMT2A | |
| SCHEMBL30872161 | 0.83 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL30997247 | 0.83 | HCRTR1 (0.55) | HCRTR1HCRTR2 | |
| SCHEMBL30872171 | 0.81 | HCRTR1 (0.50) | HCRTR1HCRTR2 | |
| SCHEMBL30872184 | 0.79 | HCRTR1 (0.43) | HCRTR1HCRTR2POLB | |
| SCHEMBL30872180 | 0.70 | HCRTR1 (0.43) | HCRTR1HCRTR2 | |
| SCHEMBL30872178 | 0.70 | HCRTR1 (0.67) | HCRTR1HCRTR2 | |
| SCHEMBL31351491 | 0.69 | HCRTR2 (0.65) | HCRTR1HCRTR2 | |
| SCHEMBL30872167 | 0.68 | HCRTR1 (0.64) | HCRTR1HCRTR2 |
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 |