Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 12/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508690 | 0.81 | ADRB2 (0.40) | CYP2A6ADRB2ADRB1ADRB3SLC6A2 | |
| SCHEMBL9273918 | 0.80 | ADRB2 (0.59) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9321509 | 0.78 | ADRB2 (0.42) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9321410 | 0.78 | ADRB2 (0.42) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9510818 | 0.77 | CHRM2 (0.43) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9762615 | 0.76 | ADRB2 (0.43) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL10513973 | 0.76 | ADRB2 (0.52) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9508219 | 0.75 | ADRB2 (0.40) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9508216 | 0.75 | CHRM2 (0.43) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL9320913 | 0.75 | ADRB2 (0.40) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0322164-B1 | ETHANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-09-22 | — | — | EP | claimed |
| EP-0322164-B1 | ETHANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-09-22 | — | — | EP | disclosed |
| EP-0322164-A2 | Ethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1989-06-28 | — | — | EP | disclosed |