Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 9/20 | 0.43 |
| ▸ | CNR1 | P21554 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29207760 | 1.00 | NPC1 (0.43) | NPC1RAB9ACNR2CNR1MAPT | |
| SCHEMBL30133150 | 0.88 | MEN1 (0.54) | NPC1RAB9AMAPTKDM4EGAA | |
| SCHEMBL29207766 | 0.87 | RAB9A (0.54) | NPC1RAB9AMAPTKDM4EGAA | |
| SCHEMBL29207628 | 0.87 | RAB9A (0.54) | NPC1RAB9AMAPTKDM4EGAA | |
| SCHEMBL30394940 | 0.83 | CNR2 (0.37) | NPC1RAB9ACNR2CNR1MAPT | |
| SCHEMBL30395335 | 0.83 | CXCR2 (0.43) | CNR2CNR1MAPTKDM4EGAA | |
| SCHEMBL30395446 | 0.81 | NPC1 (0.41) | NPC1RAB9ACNR2CNR1MAPT | |
| SCHEMBL30395427 | 0.81 | PTPN1 (0.41) | NPC1RAB9ACNR2CNR1MAPT | |
| SCHEMBL30133180 | 0.80 | PDE4B (0.46) | NPC1RAB9AMAPTKDM4EGAA | |
| SCHEMBL30133147 | 0.80 | PDE4B (0.46) | NPC1RAB9AMAPTKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4426705-A1 | CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR | F. Hoffmann-La Roche AG (CH) | 2024-09-11 | — | — | EP | disclosed |
| CN-118019745-A | Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |
| WO-2023057423-A1 | CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-13 | — | — | WO | disclosed |