Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13617868 | 0.91 | ADRB2 (0.47) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL15630202 | 0.90 | ADRB2 (0.43) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL13697685 | 0.89 | ADRB2 (0.42) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL18601883 | 0.89 | ADRB2 (0.42) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL16066905 | 0.89 | ADRB2 (0.42) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL16066898 | 0.80 | ADRB2 (0.72) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL13617485 | 0.80 | ADRB2 (0.59) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL13868998 | 0.80 | ADRB2 (0.72) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL18993729 | 0.80 | ADRB2 (0.49) | ADRB2DRD2DRD3DRD1DRD4 | |
| SCHEMBL13617477 | 0.79 | ADRB2 (0.37) | ADRB2DRD2DRD3DRD1DRD4 |
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 3 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 | disclosed |
| US-7582765-B2 | Aryl aniline β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2009-09-01 | — | — | US | disclosed |
| US-7553971-B2 | Aryl aniline β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2009-06-30 | — | — | US | disclosed |