Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2069775 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL29591819 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL3635475 | 0.81 | ALDH1A1 (0.49) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL5542469 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL28851801 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL13988354 | 0.76 | AR (0.49) | ALDH1A1ACHEIRAK4CYP1A2MAPT | |
| SCHEMBL1073157 | 0.75 | AR (0.46) | ALDH1A1ACHEIRAK4NPSR1CYP1A2 | |
| SCHEMBL8910046 | 0.75 | IRAK4 (0.46) | ALDH1A1ACHEIRAK4ADRA2BADRA2C | |
| SCHEMBL3717231 | 0.75 | AR (0.46) | ALDH1A1ACHEIRAK4NPSR1CYP1A2 | |
| SCHEMBL1073158 | 0.75 | AR (0.46) | ALDH1A1ACHEIRAK4NPSR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |