Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 15/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 13/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL775313 | 0.84 | ADRB2 (0.73) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5708299 | 0.78 | ADRB2 (0.72) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL5172235 | 0.76 | ADRB2 (0.48) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL7182431 | 0.74 | ADRB2 (0.56) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL5969790 | 0.71 | ADRB2 (0.61) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL375931 | 0.70 | ADRB2 (0.74) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5086743 | 0.70 | ADRB2 (0.47) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL5968418 | 0.70 | ADRB2 (0.59) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL775385 | 0.68 | ADRB2 (0.77) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL3843666 | 0.68 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 |
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-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |