Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 14/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 12/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | FPR3 | P25089 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2516327 | 0.90 | ADRB2 (0.45) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9942349 | 0.90 | ADRB2 (0.38) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL17185976 | 0.82 | ADRB2 (0.46) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9942423 | 0.82 | ADRB2 (0.46) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL5028852 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL523404 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL2010699 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL2131348 | 0.80 | ADRB2 (0.36) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9942398 | 0.80 | ADRB2 (0.36) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL2131341 | 0.80 | ADRB2 (0.36) | ADRB2ADRB1ADRB3SLC6A2HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131582-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015160787-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-10-22 | — | — | WO | disclosed |
| EP-2651891-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| EP-2651932-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080456-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080457-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |