Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL284115 | 0.91 | NISCH (0.52) | NISCHMTORADKADRA2ATAAR1 | |
| Bromide SCHEMBL28735524 | 0.89 | NISCH (0.50) | NISCHMTORADKADRA2ATAAR1 | |
| Hydrochloric Acid SCHEMBL28055177 | 0.89 | NISCH (0.50) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL28021715 | 0.86 | NISCH (0.47) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL29265355 | 0.86 | NISCH (0.47) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL6001368 | 0.83 | NISCH (0.52) | NISCHMTORADKADRA2ATAAR1 | |
| Hydrochloric Acid SCHEMBL29265356 | 0.82 | NISCH (0.50) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL22431423 | 0.79 | NISCH (0.44) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL28766417 | 0.79 | NISCH (0.47) | NISCHMTORADKADRA2ATAAR1 | |
| SCHEMBL674011 | 0.74 | NISCH (0.53) | NISCHMTORADKADRA2ATAAR1 |
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-116539654-A | Para-hydrogen hyperpolarization method for realizing high-sensitivity NMR detection of alcohol compounds | 厦门大学 | 2023-08-04 | — | — | CN | disclosed |