Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 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 | 0.87 | ALDH1A1 (0.48) | ALPLALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL28906189 | 0.85 | AKR1C3 (0.43) | ALDH1A1MAPK14MAPTKDM4ECTSA | |
| SCHEMBL461224 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL26134747 | 0.75 | DPP4 (0.36) | GRM5MAPK14NPC1RAB9A | |
| SCHEMBL16700525 | 0.74 | ALOX5 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL24034890 | 0.72 | DPP4 (0.39) | GRM5MAPK14NPC1RAB9ASLC34A1 | |
| SCHEMBL14758804 | 0.72 | ALPL (0.49) | ALPLALDH1A1GRM5NPC1LMNA | |
| SCHEMBL16700712 | 0.72 | L3MBTL1 (0.43) | ALDH1A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL28906201 | 0.72 | ALDH1A1 (0.43) | ALDH1A1BRD4 | |
| SCHEMBL9895018 | 0.71 | MAPT (0.39) | ALDH1A1GAANPC1MAPTRAB9A |
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 |