Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MC3R | P41968 | 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 | |
|---|---|---|---|---|
| SCHEMBL28958757 | 1.00 | CYP1A2 (0.68) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4589554 | 1.00 | CYP1A2 (0.68) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL20563823 | 0.90 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL528539 | 0.90 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL528806 | 0.86 | SMN1; SMN2 (0.51) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| Carbamic Acid SCHEMBL9001050 | 0.86 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1838254 | 0.85 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1838251 | 0.85 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL23360815 | 0.84 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL8095371 | 0.84 | CYP1A2 (0.51) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937656-A1 | 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS | AstraZeneca AB (SE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007027134-A1 | 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS | ASTRAZENECA AB (SE) | 2007-03-08 | — | — | WO | disclosed |