Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11039373 | 0.85 | ADRB1 (0.55) | ADRB1ADRB2ADRB3KDM4EGAA | |
| SCHEMBL11043555 | 0.83 | ADRB1 (0.48) | ADRB1ADRB2ADRB3KDM4EALDH1A1 | |
| SCHEMBL11451326 | 0.83 | ALDH1A1 (0.53) | ADRB2ADRB3KDM4EALDH1A1GAA | |
| SCHEMBL11483076 | 0.83 | ALDH1A1 (0.53) | ADRB2ADRB3KDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL11477462 | 0.82 | ALDH1A1 (0.55) | ADRB2ADRB3KDM4EALDH1A1GAA | |
| SCHEMBL11039896 | 0.80 | ADRB2 (0.47) | ADRB1ADRB2ADRB3KDM4EALDH1A1 | |
| SCHEMBL9671378 | 0.80 | POLB (0.49) | ADRB1ADRB2ADRB3PNMTCES2 | |
| SCHEMBL6540063 | 0.79 | ADRB1 (0.49) | ADRB1ADRB2ADRB3KDM4EGAA | |
| SCHEMBL6540069 | 0.79 | ADRB1 (0.49) | ADRB1ADRB2ADRB3KDM4EGAA | |
| SCHEMBL9007073 | 0.78 | ADRB3 (0.56) | ADRB1ADRB2ADRB3USP2CYP3A4 |
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-0021636-A1 | Secondary amines, their preparation and use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-01-07 | — | — | EP | disclosed |