Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10869866 | 0.90 | HTR2A (0.51) | CYP1A2CYP2C19HTR2APKMDRD3 | |
| SCHEMBL10875979 | 0.90 | DRD2 (0.53) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL10870609 | 0.89 | HTR2A (0.50) | CYP1A2CYP2C19HTR2APKMDRD3 | |
| SCHEMBL10873341 | 0.87 | HTR2A (0.54) | SMN1; SMN2HTR2ADRD3DRD2ADRA2A | |
| Hydrochloric Acid SCHEMBL10867337 | 0.81 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10866946 | 0.81 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10868177 | 0.80 | HTR2A (0.52) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10871125 | 0.80 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10872487 | 0.79 | HTR2A (0.63) | SMN1; SMN2CYP2D6HTR2ADRD3DRD2 | |
| Bromide SCHEMBL10872043 | 0.77 | HTR7 (0.48) | CYP1A2CYP3A4CYP2D6HTR2AALDH1A1 |
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-0187619-A2 | 1,3-Disubstituted tetrahydropyridines | CIBA-GEIGY AG (CH) | 1986-07-16 | — | — | EP | disclosed |