Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.76 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.62 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | FPR3 | P25089 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | HTR1D | P28221 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | GPR183 | P32249 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11671352 | 0.99 | ADRB2 (0.74) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL11744855 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL7723769 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL7724542 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| SCHEMBL2054491 | 0.86 | ADRB2 (0.87) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| Hydrochloric Acid SCHEMBL11670656 | 0.85 | ADRB2 (0.97) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| Hydrochloric Acid SCHEMBL11751954 | 0.83 | ADRB2 (0.77) | ADRB2ADRB1ADRB3SLC6A2HTR2A | |
| Hexoprenaline SCHEMBL121449 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1ADRB3ADRA1AKDM4E | |
| Hexoprenaline SCHEMBL32668781 | 0.83 | ADRB2 (0.72) | ADRB2ADRB1ADRB3ADRA1AKDM4E | |
| SCHEMBL8442887 | 0.82 | ADRB2 (0.63) | ADRB2ADRB1ADRB3ADRA1AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4024281-A | N,N-bis[2-(3-substituted-4-hydroxyphenyl)-ethyl or -2-hydroxyethyl]-polymethylenediamines | SMITHKLINE CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |