Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4135403 | 0.83 | LTA4H (0.51) | SIGMAR1SLC6A2SLC6A3HRH3 | |
| SCHEMBL4135394 | 0.83 | LTA4H (0.51) | SIGMAR1SLC6A2SLC6A3HRH3 | |
| SCHEMBL4048099 | 0.82 | SIGMAR1 (0.42) | SIGMAR1HTR1ASLC6A2SLC6A3 | |
| SCHEMBL4048093 | 0.82 | SIGMAR1 (0.42) | SIGMAR1HTR1ASLC6A2SLC6A3 | |
| SCHEMBL27755641 | 0.76 | HRH3 (0.65) | SIGMAR1CYP2D6HRH3TP53CYP1A2 | |
| SCHEMBL27596897 | 0.72 | SIGMAR1 (0.64) | SIGMAR1CYP2D6KCNH2HRH3TP53 | |
| SCHEMBL19606310 | 0.71 | KCNQ3 (0.34) | BCHECYP2D6HRH3 | |
| SCHEMBL6620303 | 0.71 | BCHE (0.61) | BCHECYP2D6CHRM2HTR1AADRA2A | |
| SCHEMBL22050524 | 0.71 | TAAR1 (0.50) | — | |
| SCHEMBL9353273 | 0.71 | BCHE (0.60) | BCHECYP2D6CHRM2HTR1AADRA2A |
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-101395150-A | Phenethanolamine derivatives as beta2 adrenoreceptor agonists | ASTRAZENECA AB (SE) | 2009-03-25 | — | — | CN | disclosed |