Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL10867950 | 0.90 | HTR2A (0.49) | SMN1; SMN2CYP1A2CYP2C19HTR2ADRD3 | |
| Hydrochloric Acid SCHEMBL10867337 | 0.89 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10868177 | 0.86 | HTR2A (0.52) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10871125 | 0.84 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10873091 | 0.81 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10871232 | 0.80 | HTR2A (0.50) | SMN1; SMN2CYP1A2CYP2C19HTR2ADRD3 | |
| Hydrochloric Acid SCHEMBL10867806 | 0.79 | HTR2A (0.49) | SMN1; SMN2CYP1A2CYP2C19HTR2ADRD3 | |
| SCHEMBL10867330 | 0.77 | MTNR1A (0.45) | HTR2ADRD3DRD2HTR1ADRD4 | |
| SCHEMBL10866637 | 0.77 | SLC6A4 (0.49) | HTR2AHTR1ASLC6A4 | |
| SCHEMBL10867747 | 0.77 | MPO (0.53) | CYP3A4CYP2D6CYP2C9HTR1ASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0187122-A2 | 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes | CIBA-GEIGY AG (CH) | 1986-07-09 | — | — | EP | disclosed |