Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 9/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.46 |
| ▸ | PTAFR | P25105 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23927153 | 1.00 | GABRA1 (0.46) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927109 | 0.90 | PTAFR (0.46) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL25448191 | 0.90 | PTAFR (0.46) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927145 | 0.86 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL30201940 | 0.86 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927176 | 0.86 | PTAFR (0.43) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL30201913 | 0.86 | GABRA1 (0.37) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927175 | 0.86 | GABRA1 (0.37) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927222 | 0.85 | AVPR2 (0.36) | — | |
| SCHEMBL30201973 | 0.85 | AVPR2 (0.36) | — |
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-4139310-A1 | BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-01 | — | — | EP | claimed |
| EP-4139310-A1 | BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-01 | — | — | EP | disclosed |
| CN-115667262-A | Benzodiazepine derivatives as GABAA γ 1PAM | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |