Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5968676 | 1.00 | ADRB2 (0.61) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968871 | 0.94 | ADRB2 (0.57) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968868 | 0.94 | ADRB2 (0.57) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL4391611 | 0.93 | ADRB2 (0.62) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL4391614 | 0.93 | ADRB2 (0.62) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968674 | 0.92 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968828 | 0.92 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968677 | 0.92 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968825 | 0.92 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5969077 | 0.91 | ADRB2 (0.55) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1727789-A2 | PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS | Pfizer Limited (GB) | 2006-12-06 | — | — | EP | claimed |
| WO-2005090287-A2 | PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS | PFIZER LIMITED (GB) | 2005-09-29 | — | — | WO | claimed |
| EP-1727789-A2 | PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS | Pfizer Limited (GB) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005090287-A2 | PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS | PFIZER LIMITED (GB) | 2005-09-29 | — | — | WO | disclosed |