Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906211 | 0.85 | IKBKE (0.41) | LMNAIKBKEAKR1C3GPBAR1GAA | |
| SCHEMBL28906199 | 0.82 | LMNA (0.38) | LMNAAKR1C3MAPK1NOTUMMAPT | |
| SCHEMBL28906189 | 0.75 | AKR1C3 (0.43) | IKBKEAKR1C3NOTUMMAPTALDH1A1 | |
| SCHEMBL26097267 | 0.72 | CYP1A2 (0.35) | LMNAIKBKENOTUMALDH1A1KDM4E | |
| SCHEMBL30111776 | 0.69 | PDE10A (0.38) | GPBAR1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL28906180 | 0.69 | PDE10A (0.38) | GPBAR1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL23384341 | 0.68 | ADCY10 (0.35) | MAPK1GAAALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL29757474 | 0.68 | KDM4E (0.37) | LMNAMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL23362593 | 0.68 | KDM4E (0.37) | LMNAMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL28906165 | 0.68 | PDE10A (0.39) | LMNAMAPK1GPBAR1GAAALDH1A1 |
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 |