Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906200 | 0.85 | ALPL (0.48) | CTSAALDH1A1MAPK14KDM4EMAPT | |
| SCHEMBL28906210 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPT | |
| SCHEMBL26132294 | 0.78 | HSD11B1 (0.43) | AKR1C3HSD11B1IKBKEAPPMAPK14 | |
| SCHEMBL24034845 | 0.75 | HSD11B1 (0.43) | AKR1C3HSD11B1APPNOTUM | |
| SCHEMBL28906191 | 0.75 | LMNA (0.41) | AKR1C3CFTRIKBKEALDH1A1MEN1 | |
| SCHEMBL30111784 | 0.75 | HSD11B1 (0.43) | AKR1C3HSD11B1APPNOTUM | |
| SCHEMBL30185205 | 0.74 | CFTR (0.44) | HSD11B1CFTRCTSAALDH1A1APP | |
| SCHEMBL24985767 | 0.74 | CFTR (0.44) | HSD11B1CFTRCTSAALDH1A1APP | |
| SCHEMBL24985537 | 0.74 | CTSA (0.47) | HSD11B1CFTRCTSAAPPMRGPRX4 | |
| SCHEMBL24984549 | 0.74 | CTSA (0.47) | HSD11B1CFTRCTSAAPPMRGPRX4 |
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 |