Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 15/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.47 |
| ▸ | 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 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5172235 | 0.87 | ADRB2 (0.48) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3193098 | 0.86 | ADRB2 (0.65) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3196528 | 0.75 | ADRB2 (0.64) | ADRB2ADRB1ADRB3 | |
| SCHEMBL3193512 | 0.75 | ADRB2 (0.67) | ADRB2ADRB1ADRB3 | |
| SCHEMBL5172947 | 0.75 | ADRB2 (0.46) | ADRB2ADRB1ADRB3HDAC4HDAC2 | |
| SCHEMBL3181901 | 0.75 | ADRB2 (0.66) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL7182431 | 0.73 | ADRB2 (0.56) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL3175272 | 0.73 | ADRB2 (0.66) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL3185272 | 0.72 | ADRB2 (0.68) | ADRB2ADRB1ADRB3DRD2PGR | |
| SCHEMBL6141542 | 0.70 | ADRB2 (0.58) | ADRB2ADRB1ADRB3DRD2PGR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008507532-A | — | — | 2008-03-13 | — | — | JP | claimed |
| EP-1778638-A1 | DIARYL ETHER BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2007-05-02 | — | — | EP | claimed |
| WO-2006014704-A1 | DIARYL ETHER β2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-02-09 | — | — | WO | claimed |
| EP-1778638-A1 | DIARYL ETHER BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006014704-A1 | DIARYL ETHER β2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-02-09 | — | — | WO | disclosed |