Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 SCHEMBL8923703 | 0.98 | LMNA (0.68) | ADRB2LMNATSHRADRB1HTR1A | |
| Hydrochloric Acid SCHEMBL8672635 | 0.84 | ADRB3 (0.54) | ADRB2LMNATSHRADRB1HTR1A | |
| SCHEMBL26326729 | 0.84 | ADRB2 (0.48) | ADRB2LMNATSHRADRB1HTR1A | |
| SCHEMBL29225657 | 0.81 | ADRB2 (0.58) | ADRB2LMNATSHRADRB1HTR1A | |
| SCHEMBL2295878 | 0.81 | ADRB2 (0.58) | ADRB2LMNATSHRADRB1HTR1A | |
| SCHEMBL6921904 | 0.81 | CYP3A4 (0.61) | ADRB2TSHRADRB1HTR1ASLC6A2 | |
| SCHEMBL2294136 | 0.81 | ADRB2 (0.58) | ADRB2LMNATSHRADRB1HTR1A | |
| Clenbuterol SCHEMBL20761507 | 0.80 | ADRB1 (1.00) | ADRB2LMNATSHRADRB1HTR1A | |
| Clenbuterol SCHEMBL4723 | 0.80 | ADRB1 (1.00) | ADRB2LMNATSHRADRB1HTR1A | |
| Clenbuterol SCHEMBL4722 | 0.80 | ADRB1 (1.00) | ADRB2LMNATSHRADRB1HTR1A |
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 |