Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 8/20 | 0.84 |
| ▸ | TLR4 | O00206 | 4/20 | 0.84 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.84 |
| ▸ | DRD2 | P14416 | 3/20 | 0.84 |
| ▸ | MAPT | P10636 | 2/20 | 0.84 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.84 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.84 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.84 |
| ▸ | MLNR | O43193 | 1/20 | 0.84 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.84 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.84 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.84 |
| ▸ | APP | P05067 | 1/20 | 0.84 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.84 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.84 |
| ▸ | HTR1A | P08908 | 1/20 | 0.84 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.84 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.84 |
| ▸ | GAA | P10253 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| SCHEMBL14359310 | 0.92 | ADRB2 (0.82) | ADRB2TLR4ADRB3DRD2MAPT | |
| (R)-Carvedilol SCHEMBL29382761 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL1560204 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL29744884 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL1172788 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| (R)-Carvedilol SCHEMBL29744872 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL29370188 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL10082334 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| (R)-Carvedilol SCHEMBL232110 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT | |
| Carvedilol SCHEMBL29687280 | 0.91 | ADRB2 (1.00) | ADRB2TLR4ADRB3DRD2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115960032-A | Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof | 复旦大学 | 2023-04-14 | — | — | CN | disclosed |