Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28906210 | 0.84 | ALDH1A1 (0.48) | ALDH1A1BRD4BRD2BRD3CNR1 | |
| SCHEMBL24034793 | 0.77 | GRM2 (0.44) | GRM2CNR2 | |
| SCHEMBL30111765 | 0.77 | GRM2 (0.44) | GRM2CNR2 | |
| SCHEMBL7474145 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CNR1TP53 | |
| SCHEMBL28906200 | 0.72 | ALPL (0.48) | ALDH1A1BRD4 | |
| SCHEMBL28906189 | 0.68 | AKR1C3 (0.43) | ALDH1A1 | |
| SCHEMBL28906175 | 0.68 | ALDH1A1 (0.51) | ALDH1A1BRD4BRD2BRD3CNR1 | |
| SCHEMBL2464148 | 0.67 | ABL1 (0.42) | ALDH1A1GRM2MAPK1CNR1 | |
| SCHEMBL34470879 | 0.67 | KDM4E (0.49) | ALDH1A1GRM2CNR1 | |
| SCHEMBL34471348 | 0.67 | KDM4E (0.46) | ALDH1A1GRM2CNR1 |
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 |