Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30133161 | 0.87 | MAPT (0.40) | PDE4BTP53THRBKDM4EALDH1A1 | |
| SCHEMBL30133093 | 0.85 | PDE4B (0.38) | PDE4BTP53RXFP1THRBKDM4E | |
| SCHEMBL30133094 | 0.83 | PDE4B (0.43) | PDE4BTP53KDM4EALDH1A1HPGD | |
| SCHEMBL29281266 | 0.82 | ALDH1A1 (0.41) | RXFP1KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL30133135 | 0.82 | SMN1; SMN2 (0.38) | PDE4BTP53KDM4EALDH1A1HPGD | |
| SCHEMBL30133151 | 0.81 | PDE4B (0.42) | PDE4BTP53RXFP1THRBKDM4E | |
| SCHEMBL30133129 | 0.81 | SMN1; SMN2 (0.39) | TP53KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL30133143 | 0.80 | PDE4B (0.37) | PDE4BTP53THRBALDH1A1HPGD | |
| SCHEMBL30133176 | 0.76 | KDM4E (0.42) | KDM4EALDH1A1HPGDLMNAMAPT | |
| SCHEMBL30133150 | 0.74 | MEN1 (0.54) | RXFP1KDM4EALDH1A1HPGDLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4380940-A1 | NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023012130-A1 | NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2023-02-09 | — | — | WO | disclosed |