Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | BRD2 | P25440 | 1/20 | 0.43 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.39 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906183 | 0.79 | ALDH1A1 (0.54) | ALDH1A1BRD4BRD2BRD3LMNA | |
| SCHEMBL12530565 | 0.77 | NPC1 (0.47) | ALDH1A1BRD4BRD2BRD3LMNA | |
| SCHEMBL12474252 | 0.76 | PDE4B (0.48) | ALDH1A1HTTLMNA | |
| SCHEMBL24034889 | 0.74 | BRD4 (0.41) | BRD4BRD2BRD3LMNA | |
| SCHEMBL30111768 | 0.74 | BRD4 (0.41) | BRD4BRD2BRD3LMNA | |
| SCHEMBL30111763 | 0.74 | BRD4 (0.41) | BRD4BRD2BRD3LMNA | |
| SCHEMBL16697637 | 0.72 | GAA (0.43) | ALDH1A1HTTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL497932 | 0.72 | NPSR1 (0.45) | ALDH1A1HTT | |
| SCHEMBL25043896 | 0.71 | SLC5A1 (0.41) | ALDH1A1SLC5A1SLC5A2LMNA | |
| SCHEMBL28906210 | 0.70 | ALDH1A1 (0.48) | ALDH1A1BRD4BRD2BRD3CNR1 |
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-4149933-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-22 | — | — | EP | disclosed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |