Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RPA1 | P27694 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28090836 | 0.85 | HDAC1 (0.51) | MAPK14ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL15577134 | 0.84 | ALDH1A1 (0.51) | MAPK14ADORA2AADORA1HTTALDH1A1 | |
| SCHEMBL28090523 | 0.82 | MAPT (0.44) | ADORA2AADORA1HTTCES2CES1 | |
| SCHEMBL28090835 | 0.82 | HTT (0.47) | MAPK14ADORA2AADORA1HTTALDH1A1 | |
| SCHEMBL28090831 | 0.82 | MAPK14 (0.52) | MAPK14ALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL28090834 | 0.78 | HDAC1 (0.49) | MAPK14ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL28090875 | 0.77 | ALDH1A1 (0.69) | MAPK14ADORA2AADORA1HTTCES2 | |
| SCHEMBL23354751 | 0.76 | PDE4D (0.54) | HTTALDH1A1GAAKDM4ENPC1 | |
| SCHEMBL29873885 | 0.74 | PDE4D (0.50) | HTTALDH1A1GAAKDM4ENPC1 | |
| SCHEMBL32674134 | 0.74 | MAPT (0.59) | ADORA2AADORA1ALDH1A1GAAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187923-A | 2 aryl 4 aroyl triazole compounds and application thereof | 沈阳药科大学 | 2016-12-07 | — | — | CN | disclosed |