Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.76 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.76 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.76 |
| ▸ | DRD2 | P14416 | 2/20 | 0.65 |
| ▸ | PGR | P06401 | 1/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL3840242 | 1.00 | ADRB2 (0.76) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3840237 | 1.00 | ADRB2 (0.76) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL30254965 | 0.95 | ADRB2 (0.77) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL14260754 | 0.95 | ADRB2 (0.77) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3838751 | 0.90 | ADRB2 (0.79) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3838033 | 0.90 | ADRB2 (0.79) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3838029 | 0.90 | ADRB2 (0.79) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL15277792 | 0.89 | ADRB2 (0.69) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL774948 | 0.86 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL775313 | 0.85 | ADRB2 (0.73) | 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-1641465-B1 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE INC (US) | 2009-11-04 | — | — | EP | claimed |
| EP-1446379-B1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2009-04-29 | — | — | EP | claimed |