Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 8/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL30133127 | 0.84 | CYP1A2 (0.43) | CYP1A2CTSKPREPCYP3A4TSHR | |
| SCHEMBL30133082 | 0.84 | CYP1A2 (0.43) | CYP1A2CTSKPREPCYP3A4TSHR | |
| SCHEMBL30133146 | 0.84 | CYP1A2 (0.43) | CYP1A2CTSKPREPCYP3A4TSHR | |
| SCHEMBL30133094 | 0.80 | PDE4B (0.43) | — | |
| SCHEMBL29207744 | 0.79 | CYP1A2 (0.41) | CYP1A2CTSK | |
| SCHEMBL29207742 | 0.79 | CYP1A2 (0.41) | CYP1A2CTSK | |
| SCHEMBL30876753 | 0.78 | CYP1A2 (0.42) | CYP1A2CTSK | |
| SCHEMBL29207775 | 0.78 | CYP1A2 (0.44) | CYP1A2CTSK | |
| SCHEMBL29207773 | 0.78 | CYP1A2 (0.44) | CYP1A2CTSK | |
| SCHEMBL30133093 | 0.75 | PDE4B (0.38) | — |
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 |