Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 10/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 15/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365545 | 0.83 | ADRB3 (0.50) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11560735 | 0.79 | ADRB2 (0.56) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11564852 | 0.78 | ADRB2 (0.55) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL10664612 | 0.78 | ADRB3 (0.47) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11571056 | 0.78 | ADRB2 (0.55) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11369439 | 0.77 | ADRB2 (0.49) | ADRB3ADRB2ADRB1HTR1ADRD2 | |
| SCHEMBL11365589 | 0.77 | ADRB2 (0.49) | ADRB3ADRB2ADRB1HTR1ADRD2 | |
| SCHEMBL11375195 | 0.77 | ADRB2 (0.45) | ADRB3ADRB2ADRB1 | |
| SCHEMBL11565661 | 0.76 | ADRB2 (0.56) | ADRB3ADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL11873820 | 0.76 | ADRB2 (0.65) | ADRB3ADRB2ADRB1HTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4304790-A | 2-(Alkylthio, alkylsulfinyl or alkylsulfonyl)-4-[2-anilinoalkylamino)-1-hydroxyethyl]phenols and derivatives thereof | SCHERING CORPORATION (US) | 1981-12-08 | — | — | US | disclosed |