Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12879744 | 0.81 | MEN1 (0.48) | ALDH1A1GAACPB1NAAATSHR | |
| SCHEMBL4697243 | 0.79 | SCN9A (0.50) | ALDH1A1GAA | |
| SCHEMBL7196147 | 0.78 | ALDH1A1 (0.39) | ALDH1A1GAACPB1CTSBCTSK | |
| SCHEMBL7807134 | 0.69 | GAA (0.44) | ALDH1A1GAACPB1CTSBCTSK | |
| SCHEMBL7807139 | 0.69 | GAA (0.44) | ALDH1A1GAACPB1CTSBCTSK | |
| SCHEMBL13017770 | 0.69 | NAAA (0.50) | ALDH1A1GAACTSBCTSLNAAA | |
| SCHEMBL12345121 | 0.69 | NAAA (0.50) | ALDH1A1GAACTSBCTSLNAAA | |
| SCHEMBL7811138 | 0.67 | ALDH1A1 (0.45) | ALDH1A1GAACPB1CTSBCTSK | |
| SCHEMBL12527905 | 0.67 | CASP3 (0.49) | ALDH1A1GAACTSBCTSKCTSS | |
| SCHEMBL9541279 | 0.67 | ALDH1A1 (0.52) | ALDH1A1GAACPB1CTSBCTSK |
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-1294702-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090084-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |