Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 16/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 15/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | FPR3 | P25089 | 1/20 | 0.52 |
| ▸ | HTR1D | P28221 | 1/20 | 0.52 |
| ▸ | HTR1B | P28222 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL23931055 | 0.89 | ADRB2 (0.64) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL2131348 | 0.85 | ADRB2 (0.36) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL2131341 | 0.85 | ADRB2 (0.36) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL9942332 | 0.85 | ADRB2 (0.49) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL9942398 | 0.85 | ADRB2 (0.36) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL17185976 | 0.83 | ADRB2 (0.46) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL9942423 | 0.81 | ADRB2 (0.46) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL9942772 | 0.81 | ADRB2 (0.46) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL197442 | 0.81 | ADRB2 (0.79) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL29623614 | 0.81 | ADRB2 (0.79) | ADRB2ADRB1ADRB3KDM4EMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2020-08-05 | — | — | EP | disclosed |
| 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-2736886-A1 | SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2014-06-04 | — | — | EP | 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-2013014060-A1 | SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-31 | — | — | WO | 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 |