Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 9/20 | 0.55 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1180012 | 0.96 | ADRB2 (0.58) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL1180543 | 0.84 | ADRB2 (0.59) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL1179648 | 0.82 | ADRB2 (0.53) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL12193241 | 0.82 | ADRB2 (0.54) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL3577973 | 0.79 | ADRB2 (0.54) | ADRB2KDM4ECHRM2CHRM1DRD1 | |
| Oxalic Acid SCHEMBL6773522 | 0.76 | KDM4E (0.72) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL3813478 | 0.76 | CDYL (0.64) | ADRB2CDYLKDM4EHTR2ACYP3A4 | |
| SCHEMBL29372244 | 0.72 | ADRB2 (1.00) | ADRB2 | |
| SCHEMBL186048 | 0.72 | ADRB2 (1.00) | ADRB2 | |
| SCHEMBL3587177 | 0.71 | ADRB2 (0.44) | ADRB2CDYLKDM4ECYP3A4ALDH1A1 |
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-2124941-A1 | COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | Argenta Discovery Limited (GB) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008096126-A1 | COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |