Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.67 |
| ▸ | DRD2 | P14416 | 2/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | DRD3 | P35462 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Salmefamol SCHEMBL30361710 | 1.00 | ADRB2 (0.67) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Salmefamol SCHEMBL18458 | 1.00 | ADRB2 (0.67) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11180299 | 0.90 | ADRB2 (0.69) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL4255159 | 0.89 | ADRB2 (0.71) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| Arformoterol SCHEMBL5849657 | 0.89 | ADRB2 (0.87) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL4255154 | 0.89 | ADRB2 (0.71) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11174404 | 0.89 | ADRB2 (0.61) | ADRB2ADRB1ADRB3SLC6A4ADRA1A | |
| Salmefamol SCHEMBL2221384 | 0.89 | ADRB2 (0.68) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11180151 | 0.89 | ADRB2 (0.56) | ADRB2ADRB1ADRB3DRD2SLC6A4 | |
| SCHEMBL11810215 | 0.88 | ADRB2 (0.73) | ADRB2ADRB1ADRB3DRD2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018108089-A1 | CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE | 北京硕佰医药科技有限责任公司 | 2018-06-21 | — | — | WO | disclosed |