Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11098461 | 0.81 | ADRB2 (0.68) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| SCHEMBL13188558 | 0.81 | SLC6A2 (0.52) | ADRB2ADRB1CYP2D6ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL10877628 | 0.80 | BLM (0.55) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| SCHEMBL2294795 | 0.79 | ADRB2 (0.51) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| SCHEMBL11433167 | 0.79 | CASR (0.69) | ADRB2ADRB1CYP2D6ADRB3 | |
| SCHEMBL2294900 | 0.79 | ADRB2 (0.51) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| Hydrochloric Acid SCHEMBL11285463 | 0.79 | BLM (0.47) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| Tulobuterol SCHEMBL30986127 | 0.78 | ADRB2 (1.00) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| Flerobuterol SCHEMBL20819557 | 0.78 | ADRB1 (0.66) | ADRB2ADRB1CYP2D6HIF1ANFKB1 | |
| Tulobuterol SCHEMBL22970444 | 0.78 | ADRB2 (1.00) | ADRB2ADRB1CYP2D6HIF1ANFKB1 |
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 |