Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5968868 | 1.00 | ADRB2 (0.57) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968676 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968675 | 0.94 | ADRB2 (0.61) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5969077 | 0.91 | ADRB2 (0.55) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5969072 | 0.91 | ADRB2 (0.55) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968884 | 0.90 | ADRB2 (0.61) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL5968889 | 0.90 | ADRB2 (0.61) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL4390121 | 0.89 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL4390115 | 0.89 | ADRB2 (0.59) | ADRB2ADRB1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL4391611 | 0.88 | ADRB2 (0.62) | 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 2 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 | disclosed |
| WO-2005090287-A2 | PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS | PFIZER LIMITED (GB) | 2005-09-29 | — | — | WO | disclosed |