Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 18/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 17/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | FPR3 | P25089 | 1/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.57 |
| ▸ | HTR1D | P28221 | 1/20 | 0.57 |
| ▸ | HTR1B | P28222 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29798834 | 0.83 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL185698 | 0.83 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL668538 | 0.83 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL254366 | 0.82 | ADRB2 (0.66) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL185383 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL185382 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL28335500 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL30510394 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL4240814 | 0.77 | ADRB2 (0.72) | ADRB2ADRB1ADRB3 | |
| SCHEMBL30480372 | 0.77 | ADRB2 (0.72) | ADRB2ADRB1ADRB3 |
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-3424534-B1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMA (US) | 2021-06-02 | — | — | EP | disclosed |
| EP-3131582-B1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMA (US) | 2018-05-23 | — | — | EP | disclosed |