Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876483 | 0.87 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL28872989 | 0.84 | ADRB1 (0.58) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL28319292 | 0.81 | ADRB2 (0.57) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL28319294 | 0.78 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL28319303 | 0.77 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL28320398 | 0.77 | ADRB2 (0.60) | ADRB2ADRB1CYP2D6NFKB1HIF1A | |
| SCHEMBL5604949 | 0.77 | HTT (0.71) | ADRB2CYP2D6LMNAAOC3HTT | |
| SCHEMBL570476 | 0.76 | HTT (0.59) | LMNAHTTMAPTMEN1ALDH1A1 | |
| SCHEMBL28614206 | 0.75 | LMNA (0.60) | ADRB2ADRB1LMNAHTTMAPT | |
| SCHEMBL17006480 | 0.74 | HTT (0.57) | ADRB2ADRB1LMNAHTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-110143886-B | Process for the preparation of beta-arylaminoalkols such as tulobuterol, chlorpropaline, isoadrenaline dichloride and sotalol | 北京化工大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-110143886-A | The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol | 北京化工大学 | 2019-08-20 | — | — | CN | disclosed |